methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-methyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O6S/c1-13-9-17(21(27)24-11-14-3-8-18-19(10-14)31-12-30-18)22(32-13)25-20(26)15-4-6-16(7-5-15)23(28)29-2/h3-10H,11-12H2,1-2H3,(H,24,27)(H,25,26)