methyl 6-methyl-2-[(2-methylquinolin-7-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(2-methylquinolin-7-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(2-methylquinoline-7-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(2-methyl-7-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(2-methylquinoline-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(2-methylquinoline-7-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=N4)C)C=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=N4)C)C=C3

InChI

InChI=1S/C22H22N2O3S/c1-12-4-9-16-18(10-12)28-21(19(16)22(26)27-3)24-20(25)15-8-7-14-6-5-13(2)23-17(14)11-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)