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

Systemtic Name: 5-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(2-indan-5-ylsulfanylacetyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(indan-5-ylthio)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=C(CCC3)C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC3=C(CCC3)C=C2)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-25-18-8-5-13(9-17(18)20(23)24)11-21-19(22)12-26-16-7-6-14-3-2-4-15(14)10-16/h5-10H,2-4,11-12H2,1H3,(H,21,22)(H,23,24)