ethyl 5-(1,3-benzodioxol-5-ylcarbonylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-[1,3-benzodioxol-5-yl(oxo)methyl]imino-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylimino)-4-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-piperonyloylimino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC(=O)C2=CC3=C(C=C2)OCO3)S1)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC(=O)C2=CC3=C(C=C2)OCO3)S1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O5S/c1-2-26-18(25)17-22-23(13-6-4-12(20)5-7-13)19(29-17)21-16(24)11-3-8-14-15(9-11)28-10-27-14/h3-9H,2,10H2,1H3