[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)N)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)N)SC

InChI

InChI=1S/C19H18N2O5S/c1-11(22)21-15-9-14(7-8-17(15)27-2)16(23)10-26-19(25)13-5-3-12(4-6-13)18(20)24/h3-9H,10H2,1-2H3,(H2,20,24)(H,21,22)