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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 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 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 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 1,3-benzothiazol-2-ylmethyl ester Formula: C24H18N2O5S2 MolecularWeight: 478.54012

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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=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N2O5S2/c27-22(25-15-9-10-18-19(11-15)31-14-30-18)13-32-20-7-3-1-5-16(20)24(28)29-12-23-26-17-6-2-4-8-21(17)33-23/h1-11H,12-14H2,(H,25,27)