phenacyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: phenacyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: phenacyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]acetic acid phenacyl ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CSCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CSCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O4S2/c22-15(13-6-2-1-3-7-13)10-25-18(24)12-26-11-17(23)21-19-20-14-8-4-5-9-16(14)27-19/h1-9H,10-12H2,(H,20,21,23)