methyl 3-methyl-8-oxidanylidene-3-phenylazanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: methyl 3-methyl-8-oxidanylidene-3-phenylazanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl 3-anilino-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-anilino-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl 3-anilino-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-anilino-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-23(25-16-11-7-4-8-12-16)14-31-21-18(20(28)26(21)19(23)22(29)30-2)24-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,25H,13-14H2,1-2H3,(H,24,27)