ethyl 2-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-methyl-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-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-methyl-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-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-cyano-6-isopropyl-2-pyridyl)thio]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29N3O3S2 MolecularWeight: 471.63536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCSC3=C(C=CC(=N3)C(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCSC3=C(C=CC(=N3)C(C)C)C#N

InChI

InChI=1S/C24H29N3O3S2/c1-5-30-24(29)21-17-8-6-15(4)12-19(17)32-23(21)27-20(28)10-11-31-22-16(13-25)7-9-18(26-22)14(2)3/h7,9,14-15H,5-6,8,10-12H2,1-4H3,(H,27,28)