[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

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