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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO4S2/c1-23-14-8-6-13(7-9-14)16(21)12-24-18(22)10-11-25-19-20-15-4-2-3-5-17(15)26-19/h2-9H,10-12H2,1H3