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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-4-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(2-thenoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O6S2/c1-3-27-21(26)16-11(2)17(31-20(16)23-18(24)15-5-4-8-30-15)19(25)22-12-6-7-13-14(9-12)29-10-28-13/h4-9H,3,10H2,1-2H3,(H,22,25)(H,23,24)