ethyl 2-azanyl-1-(4-bromophenyl)-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(4-bromophenyl)-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-bromophenyl)-5-oxo-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-5-oxo-4-(3-thiophenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-bromophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)-5-keto-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CSC=C3)C(=O)CCC2)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CSC=C3)C(=O)CCC2)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C22H21BrN2O3S/c1-2-28-22(27)20-18(13-10-11-29-12-13)19-16(4-3-5-17(19)26)25(21(20)24)15-8-6-14(23)7-9-15/h6-12,18H,2-5,24H2,1H3