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

Systemtic Name: dimethyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanedioate Openeye Name: dimethyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanedioate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanedioate Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoylamino]succinic acid dimethyl ester Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)OC)C(=O)OC)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NC(CC(=O)OC)C(=O)OC)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H18ClNO5S/c1-9(23-11-6-4-10(16)5-7-11)14(19)17-12(15(20)22-3)8-13(18)21-2/h4-7,9,12H,8H2,1-3H3,(H,17,19)