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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-(p-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C23H21NO5S/c1-13-4-7-16(8-5-13)21(25)24-22-20(23(26)27-3)14(2)19(30-22)11-15-6-9-17-18(10-15)29-12-28-17/h4-10H,11-12H2,1-3H3,(H,24,25)