ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylcarbonylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylcarbonylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[cyclopropyl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4CC4

InChI

InChI=1S/C20H21NO5S/c1-3-24-20(23)17-11(2)16(27-19(17)21-18(22)13-5-6-13)9-12-4-7-14-15(8-12)26-10-25-14/h4,7-8,13H,3,5-6,9-10H2,1-2H3,(H,21,22)