ethyl 2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CC(C4)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CC(C4)(C)C

InChI

InChI=1S/C28H30N4O3S/c1-4-35-27(34)23-17-9-5-6-10-21(17)36-26(23)32-19-12-28(2,3)13-20(33)24(19)22(18(14-29)25(32)30)16-8-7-11-31-15-16/h7-8,11,15,22H,4-6,9-10,12-13,30H2,1-3H3