1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(E)-2-(4-thiadiazolyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C21H21N7O8S3 MolecularWeight: 595.62854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NO)C3=CSC(=N3)N)C=CC4=CSN=N4

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/O)/C3=CSC(=N3)N)/C=C/C4=CSN=N4

InChI

InChI=1S/C21H21N7O8S3/c1-3-34-21(32)36-9(2)35-19(31)15-10(4-5-11-7-39-27-25-11)6-37-18-14(17(30)28(15)18)24-16(29)13(26-33)12-8-38-20(22)23-12/h4-5,7-9,14,18,33H,3,6H2,1-2H3,(H2,22,23)(H,24,29)/b5-4+,26-13+