[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-(2-thienyl)-2-thienyl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[3-carbethoxy-4-(2-thienyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H17NO7S2 MolecularWeight: 459.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17NO7S2/c1-2-26-21(25)18-13(16-4-3-7-30-16)10-31-19(18)22-17(23)9-27-20(24)12-5-6-14-15(8-12)29-11-28-14/h3-8,10H,2,9,11H2,1H3,(H,22,23)