ethyl 2-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-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-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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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=CS5)C(=O)CC(C4)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C([C@@H](C(=C3N)C#N)C5=CC=CS5)C(=O)CC(C4)(C)C

InChI

InChI=1S/C27H29N3O3S2/c1-4-33-26(32)22-15-8-5-6-9-19(15)35-25(22)30-17-12-27(2,3)13-18(31)23(17)21(16(14-28)24(30)29)20-10-7-11-34-20/h7,10-11,21H,4-6,8-9,12-13,29H2,1-3H3/t21-/m0/s1