phenacyl 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: phenacyl 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: phenacyl 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetic acid phenacyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S2/c1-13-7-8-15-17(9-13)28-20(21-15)22-18(24)11-27-12-19(25)26-10-16(23)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,22,24)