1,3-benzodioxol-5-yl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic 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)CSCC(=O)OC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

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

InChI

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