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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-12(27-15-5-3-14(20)4-6-15)19(23)24-10-18(22)21-9-13-2-7-16-17(8-13)26-11-25-16/h2-8,12H,9-11H2,1H3,(H,21,22)/t12-/m1/s1