[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-3-[5-[3,4-bis(oxidanyl)phenyl]-1,3-oxazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-3-[5-[3,4-bis(oxidanyl)phenyl]-1,3-oxazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-3-[5-(3,4-dihydroxyphenyl)oxazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-3-[5-(3,4-dihydroxyphenyl)-2-oxazolyl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-[5-(3,4-dihydroxyphenyl)-1,3-oxazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethyloximino-acetyl]amino]-3-[5-(3,4-dihydroxyphenyl)oxazol-2-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C24H20N6O9S3 MolecularWeight: 632.6454

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC=C(O4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC=C(O4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

InChI

InChI=1S/C24H20N6O9S3/c1-2-37-29-16(12-8-42-22(25)27-12)17(33)28-24(9-40)20(34)30-19(39-23(35)36)11(7-41-21(24)30)18-26-6-15(38-18)10-3-4-13(31)14(32)5-10/h3-6,8-9,21,31-32H,2,7H2,1H3,(H2,25,27)(H,28,33)(H,35,36)/b29-16+