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

Systemtic Name: methyl 2-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C27H27N3O3S2/c1-16-13-17(2)29-25(21(16)15-28)34-12-11-23(31)30-26-24(27(32)33-3)20-10-9-19(14-22(20)35-26)18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3,(H,30,31)