3-(1-methoxypiperidin-4-yl)sulfanyl-1-methyl-indole-5-carboxylic acid

Systemtic Name: 3-(1-methoxypiperidin-4-yl)sulfanyl-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[(1-methoxy-4-piperidyl)sulfanyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[(1-methoxy-4-piperidinyl)thio]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-(1-methoxypiperidin-4-yl)sulfanyl-1-methylindole-5-carboxylic acid Traditional Name: 3-[(1-methoxy-4-piperidyl)thio]-1-methyl-indole-5-carboxylic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)SC3CCN(CC3)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)SC3CCN(CC3)OC

InChI

InChI=1S/C16H20N2O3S/c1-17-10-15(22-12-5-7-18(21-2)8-6-12)13-9-11(16(19)20)3-4-14(13)17/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)