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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O4S2/c1-24-14-6-4-5-13(9-14)10-20-17(22)11-25-18(23)12-26-19-21-15-7-2-3-8-16(15)27-19/h2-9H,10-12H2,1H3,(H,20,22)