[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S3/c1-24-13-6-4-5-12(9-13)19-16(21)10-23-17(22)11-25-18-20-14-7-2-3-8-15(14)26-18/h2-9H,10-11H2,1H3,(H,19,21)