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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-13-7-8-15(14(2)9-13)21-18(23)11-26-12-20(24)25-10-19-22-16-5-3-4-6-17(16)27-19/h3-9H,10-12H2,1-2H3,(H,21,23)