3-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(3-chlorobenzyl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H16ClNO3S/c1-11-5-6-13(17(21)22)8-15(11)19-16(20)10-23-9-12-3-2-4-14(18)7-12/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)