ethyl 2-azanyl-1-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-1-(4-chlorophenyl)-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-1-(4-chlorophenyl)-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C25H25ClN2O3S MolecularWeight: 468.9956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C25H25ClN2O3S/c1-3-31-25(30)23-21(15-7-13-18(32-2)14-8-15)22-19(5-4-6-20(22)29)28(24(23)27)17-11-9-16(26)10-12-17/h7-14,21H,3-6,27H2,1-2H3