methyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)15-8-10-16(11-9-15)22-20(25)17-6-2-3-7-18(17)28-14-19(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)