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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-13-6-8-14(9-7-13)20-17(22)11-25-12-19(23)24-10-18-21-15-4-2-3-5-16(15)26-18/h2-9H,10-12H2,1H3,(H,20,22)