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

Systemtic Name: (phenylmethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: benzyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid benzyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19NO5S/c25-22(24-17-10-11-19-20(12-17)29-15-28-19)14-30-21-9-5-4-8-18(21)23(26)27-13-16-6-2-1-3-7-16/h1-12H,13-15H2,(H,24,25)