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

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-[(2-methyl-4-quinolyl)amino]-2-oxo-ethyl] 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-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-[(2-methyl-4-quinolyl)amino]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C22H22N2O3S/c1-13-11-18(16-8-4-5-9-17(16)23-13)24-21(25)14(2)27-22(26)20-12-15-7-3-6-10-19(15)28-20/h4-5,8-9,11-12,14H,3,6-7,10H2,1-2H3,(H,23,24,25)