1,3-benzodioxol-5-yl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid 1,3-benzodioxol-5-yl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO5S/c1-12-3-5-14(6-4-12)20-18(21)10-26-13(2)19(22)25-15-7-8-16-17(9-15)24-11-23-16/h3-9,13H,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1