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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C32H26N2O5S MolecularWeight: 550.62424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C32H26N2O5S/c1-3-37-32(36)29-19(2)28(16-20-13-14-26-27(15-20)39-18-38-26)40-31(29)34-30(35)23-17-25(21-9-5-4-6-10-21)33-24-12-8-7-11-22(23)24/h4-15,17H,3,16,18H2,1-2H3,(H,34,35)