ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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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)CCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-2-33-26(32)22-16-8-3-4-11-20(16)34-25(22)30-18-9-5-10-19(31)23(18)21(17(13-27)24(30)28)15-7-6-12-29-14-15/h6-7,12,14,21H,2-5,8-11,28H2,1H3