[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO5S/c20-15-8-14(9-16-18(15)26-12-25-16)19(23)24-10-17(22)21-6-7-27-11-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-12H2,(H,21,22)