ethyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28ClN3O3S MolecularWeight: 522.05822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H28ClN3O3S/c1-2-35-28(34)25-19-8-3-4-11-23(19)36-27(25)32-24(33)12-7-9-18-20-16-17(29)13-14-21(20)31-26(18)22-10-5-6-15-30-22/h5-6,10,13-16,31H,2-4,7-9,11-12H2,1H3,(H,32,33)