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

Systemtic Name: ethyl 2-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4R)-2-amino-3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S MolecularWeight: 501.63974

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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)CC(C4)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C([C@@H](C(=C3N)C#N)C5=CC=CC=C5)C(=O)CC(C4)(C)C

InChI

InChI=1S/C29H31N3O3S/c1-4-35-28(34)24-18-12-8-9-13-22(18)36-27(24)32-20-14-29(2,3)15-21(33)25(20)23(19(16-30)26(32)31)17-10-6-5-7-11-17/h5-7,10-11,23H,4,8-9,12-15,31H2,1-3H3/t23-/m1/s1