4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-methyl-benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H19NO3S/c1-11-4-5-12(2)16(8-11)23-10-17(20)19-15-7-6-14(18(21)22)9-13(15)3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)