propan-2-yl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14(2)26-20(25)15-7-6-10-17(11-15)22-19(24)13-27-12-18(23)21-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)