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

Systemtic Name: ethyl 2-azanyl-1-(4-bromophenyl)-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-bromophenyl)-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-bromophenyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)-5-keto-4-(2-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=CC=CS3)C(=O)CCC2)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CS3)C(=O)CCC2)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C22H21BrN2O3S/c1-2-28-22(27)20-19(17-7-4-12-29-17)18-15(5-3-6-16(18)26)25(21(20)24)14-10-8-13(23)9-11-14/h4,7-12,19H,2-3,5-6,24H2,1H3