tert-butyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-(phenylthio)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(phenylthio)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C23H25N5O5S3 MolecularWeight: 547.6701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O5S3/c1-23(2,3)33-20(31)17-21(36-12-8-6-5-7-9-12)34-11-14-16(19(30)28(14)17)26-18(29)15(27-32-4)13-10-35-22(24)25-13/h5-10,14,16H,11H2,1-4H3,(H2,24,25)(H,26,29)/b27-15+