1,3-benzothiazol-2-ylmethyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-anisidino)ethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O4S2/c1-24-14-8-6-13(7-9-14)20-17(22)11-26-12-19(23)25-10-18-21-15-4-2-3-5-16(15)27-18/h2-9H,10-12H2,1H3,(H,20,22)