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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-piperonyl-2-(2-thenoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H19NO5S2/c1-3-25-21(24)18-14(9-13-6-7-15-16(10-13)27-11-26-15)12(2)29-20(18)22-19(23)17-5-4-8-28-17/h4-8,10H,3,9,11H2,1-2H3,(H,22,23)