(phenylmethyl) 2-azanyl-3,3-dimethyl-6-(4-methylphenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-3,3-dimethyl-6-(4-methylphenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 2-amino-3,3-dimethyl-7-oxo-6-(p-tolylsulfanyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 2-amino-3,3-dimethyl-6-[(4-methylphenyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3,3-dimethyl-6-(4-methylphenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 2-amino-7-keto-3,3-dimethyl-6-(p-tolylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3N(C2=O)C(C(S3)(C)C)(C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3N(C2=O)C(C(S3)(C)C)(C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C22H24N2O3S2/c1-14-9-11-16(12-10-14)28-17-18(25)24-19(17)29-21(2,3)22(24,23)20(26)27-13-15-7-5-4-6-8-15/h4-12,17,19H,13,23H2,1-3H3