ethyl 2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-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-thiophen-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-thienyl)-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-thiophenyl)-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-thiophen-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-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=CSC=C5)C(=O)CC(C4)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S2/c1-4-33-26(32)22-16-7-5-6-8-20(16)35-25(22)30-18-11-27(2,3)12-19(31)23(18)21(15-9-10-34-14-15)17(13-28)24(30)29/h9-10,14,21H,4-8,11-12,29H2,1-3H3