[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2)C

InChI

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