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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

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