propan-2-yl 4-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-14(2)27-21(26)16-7-9-17(10-8-16)22-19(24)12-28-13-20(25)23-18-6-4-5-15(3)11-18/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)