dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]butanedioate

Systemtic Name: dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]butanedioate Openeye Name: dimethyl 2-[2-(p-tolylsulfanyl)propanoylamino]butanedioate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]butanedioate Traditional Name: 2-[2-(p-tolylthio)propanoylamino]succinic acid dimethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC(CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC(CC(=O)OC)C(=O)OC

InChI

InChI=1S/C16H21NO5S/c1-10-5-7-12(8-6-10)23-11(2)15(19)17-13(16(20)22-4)9-14(18)21-3/h5-8,11,13H,9H2,1-4H3,(H,17,19)