ethyl 2-(2-azanyl-3-cyano-5-oxidanylidene-4-phenyl-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-phenyl-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-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2-amino-3-cyano-5-oxo-4-phenyl-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-phenyl-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-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-2-33-27(32)23-17-11-6-7-14-21(17)34-26(23)30-19-12-8-13-20(31)24(19)22(18(15-28)25(30)29)16-9-4-3-5-10-16/h3-5,9-10,22H,2,6-8,11-14,29H2,1H3