2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC4=CC=CC=C4S3)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC4=CC=CC=C4S3)C5CCCCC5

InChI

InChI=1S/C27H28N2O3S/c1-28(2)24(30)16-29-21-14-19(27(31)32)12-13-20(21)25(17-8-4-3-5-9-17)26(29)23-15-18-10-6-7-11-22(18)33-23/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,31,32)