methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c1-32-26(31)22-16-10-5-6-13-20(16)33-25(22)29-18-11-7-12-19(30)23(18)21(17(14-27)24(29)28)15-8-3-2-4-9-15/h2-4,8-9,21H,5-7,10-13,28H2,1H3