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

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(3-acetamidoanilino)-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-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-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-acetamidoanilino)-2-keto-ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20N2O6S/c1-13(23)21-14-3-2-4-15(9-14)22-19(24)11-28-20(25)12-29-16-5-6-17-18(10-16)27-8-7-26-17/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,23)(H,22,24)