ethyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H29N3O3S2 MolecularWeight: 567.72096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C32H29N3O3S2/c1-3-38-32(37)29-23-15-14-20(2)16-27(23)40-31(29)35-28(36)19-39-30-25(18-33)24(21-10-6-4-7-11-21)17-26(34-30)22-12-8-5-9-13-22/h4-13,17,20H,3,14-16,19H2,1-2H3,(H,35,36)