1,3-benzodioxol-5-yl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OCO3

InChI

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