methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C31H24N2O5S MolecularWeight: 536.59766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H24N2O5S/c1-18-27(15-19-12-13-25-26(14-19)38-17-37-25)39-30(28(18)31(35)36-2)33-29(34)22-16-24(20-8-4-3-5-9-20)32-23-11-7-6-10-21(22)23/h3-14,16H,15,17H2,1-2H3,(H,33,34)