methyl 4-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]butyric acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-12-5-3-6-13(9-12)18-15(20)11-23-10-14(19)17-8-4-7-16(21)22-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)