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

Systemtic Name: methyl 2-[3-(3-cyano-6-methyl-pyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-cyano-6-methyl-2-pyridyl)thio]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C=CC(=N3)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C=CC(=N3)C)C#N

InChI

InChI=1S/C21H23N3O3S2/c1-12-4-7-15-16(10-12)29-20(18(15)21(26)27-3)24-17(25)8-9-28-19-14(11-22)6-5-13(2)23-19/h5-6,12H,4,7-10H2,1-3H3,(H,24,25)