4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-indan-5-ylsulfanylacetyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(indan-5-ylthio)acetyl]amino]-3-methyl-benzoic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H19NO3S/c1-12-9-15(19(22)23)6-8-17(12)20-18(21)11-24-16-7-5-13-3-2-4-14(13)10-16/h5-10H,2-4,11H2,1H3,(H,20,21)(H,22,23)