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

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-25-15-8-6-14(7-9-15)12-21-18(23)13-26-19(24)10-11-27-20-22-16-4-2-3-5-17(16)28-20/h2-9H,10-13H2,1H3,(H,21,23)