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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic 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:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-11(26-14-5-2-12(19)3-6-14)18(22)23-9-17(21)20-13-4-7-15-16(8-13)25-10-24-15/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1