[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C23H24N2O3S/c1-3-19(28-23(27)21-13-15-8-4-7-11-20(15)29-21)22(26)25-18-12-14(2)24-17-10-6-5-9-16(17)18/h5-6,9-10,12-13,19H,3-4,7-8,11H2,1-2H3,(H,24,25,26)