propan-2-yl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C30H30BrN3O4S MolecularWeight: 608.5459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C30H30BrN3O4S/c1-6-34(7-2)29(36)26-18(5)25(30(37)38-17(3)4)28(39-26)33-27(35)22-16-24(19-11-10-12-20(31)15-19)32-23-14-9-8-13-21(22)23/h8-17H,6-7H2,1-5H3,(H,33,35)