[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H15ClN2O6S MolecularWeight: 458.8716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H15ClN2O6S/c22-14-5-3-12(8-15(14)24-20(26)18-2-1-7-31-18)21(27)28-10-19(25)23-13-4-6-16-17(9-13)30-11-29-16/h1-9H,10-11H2,(H,23,25)(H,24,26)