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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 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 (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 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 (1-cyanoindolizin-2-yl)methyl ester Formula: C26H19N3O5S MolecularWeight: 485.51116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C26H19N3O5S/c27-12-20-17(13-29-10-4-3-6-21(20)29)14-32-26(31)19-5-1-2-7-24(19)35-15-25(30)28-18-8-9-22-23(11-18)34-16-33-22/h1-11,13H,14-16H2,(H,28,30)