4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methylbenzoic acid Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-3-methyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C19H21NO3S/c1-12-4-6-16(11-13(12)2)24-9-8-18(21)20-17-7-5-15(19(22)23)10-14(17)3/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)(H,22,23)