[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C21H20N2O4S/c1-3-12-22-19(24)13-27-21(26)17-6-4-5-7-18(17)28-14-20(25)23-16-10-8-15(2)9-11-16/h1,4-11H,12-14H2,2H3,(H,22,24)(H,23,25)