methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(piperidine-1-carbonyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O6S/c1-12-16(21(26)27-2)19(30-17(12)20(25)23-8-4-3-5-9-23)22-18(24)13-6-7-14-15(10-13)29-11-28-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,22,24)