2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C18H18ClNO5S/c1-24-15-7-13(18(22)23)14(8-16(15)25-2)20-17(21)10-26-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,21)(H,22,23)