2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C29H30N2O4S/c32-26(30-12-14-35-15-13-30)18-31-23-16-21(29(33)34)10-11-22(23)27(19-6-2-1-3-7-19)28(31)25-17-20-8-4-5-9-24(20)36-25/h4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34)