[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H19NO6S/c1-13(22)14-3-2-4-15(9-14)21-19(23)11-27-20(24)12-28-16-5-6-17-18(10-16)26-8-7-25-17/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,23)