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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-8-17-14(19)9-22-16(21)11-23-10-15(20)18-13-6-4-12(2)5-7-13/h1,4-7H,8-11H2,2H3,(H,17,19)(H,18,20)