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

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-benzoyloxyethyl 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 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 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 2-benzoyloxyethyl ester Formula: C25H21NO7S MolecularWeight: 479.50174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO7S/c27-23(26-18-10-11-20-21(14-18)33-16-32-20)15-34-22-9-5-4-8-19(22)25(29)31-13-12-30-24(28)17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,26,27)