3-(4-cyclopropylsulfanylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-cyclopropylsulfanylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-cyclopropylsulfanylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[4-(cyclopropylthio)phenyl]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-cyclopropylsulfanylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[4-(cyclopropylthio)phenyl]-1-m-anisyl-indole-2-carboxylic acid Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)SC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)SC5CC5

InChI

InChI=1S/C26H23NO3S/c1-30-19-6-4-5-17(15-19)16-27-23-8-3-2-7-22(23)24(25(27)26(28)29)18-9-11-20(12-10-18)31-21-13-14-21/h2-12,15,21H,13-14,16H2,1H3,(H,28,29)