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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[3-(phenylthio)propylamino]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)NCCCSC3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3)Cl

InChI

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