ethyl 2-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-cyano-6-isopropyl-2-pyridyl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=C(C=CC(=N4)C(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=C(C=CC(=N4)C(C)C)C#N

InChI

InChI=1S/C29H31N3O3S2/c1-4-35-29(34)26-22-12-10-20(19-8-6-5-7-9-19)16-24(22)37-28(26)32-25(33)14-15-36-27-21(17-30)11-13-23(31-27)18(2)3/h5-9,11,13,18,20H,4,10,12,14-16H2,1-3H3,(H,32,33)