[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5S/c19-13-3-1-12(2-4-13)9-26-10-18(22)23-8-17(21)20-14-5-6-15-16(7-14)25-11-24-15/h1-7H,8-11H2,(H,20,21)