1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(4-phenylmethoxyphenyl)-3-(thian-4-yl)indole-6-carboxylic acid

Systemtic Name: 1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(4-phenylmethoxyphenyl)-3-(thian-4-yl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-1-[2-(dimethylamino)-2-oxo-ethyl]-3-tetrahydrothiopyran-4-yl-indole-6-carboxylic acid CAS Name: 1-[2-(dimethylamino)-2-oxoethyl]-2-(4-phenylmethoxyphenyl)-3-(4-thianyl)-6-indolecarboxylic acid IUPAC Name: 1-[2-(dimethylamino)-2-oxoethyl]-2-(4-phenylmethoxyphenyl)-3-(thian-4-yl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-1-[2-(dimethylamino)-2-keto-ethyl]-3-tetrahydrothiopyran-4-yl-indole-6-carboxylic acid Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCSCC5

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCSCC5

InChI

InChI=1S/C31H32N2O4S/c1-32(2)28(34)19-33-27-18-24(31(35)36)10-13-26(27)29(22-14-16-38-17-15-22)30(33)23-8-11-25(12-9-23)37-20-21-6-4-3-5-7-21/h3-13,18,22H,14-17,19-20H2,1-2H3,(H,35,36)