methyl 2-(2-azanyl-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-azanyl-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-amino-3-cyano-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[2-amino-3-cyano-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-amino-3-cyano-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4

InChI

InChI=1S/C25H24N4O3S/c1-32-25(31)21-15-7-2-3-10-19(15)33-24(21)29-17-8-4-9-18(30)22(17)20(16(12-26)23(29)27)14-6-5-11-28-13-14/h5-6,11,13,20H,2-4,7-10,27H2,1H3