[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O4S2/c1-30-21-8-4-2-6-19(21)14-26-23(28)15-31-24(29)18-12-10-17(11-13-18)16-32-25-27-20-7-3-5-9-22(20)33-25/h2-13H,14-16H2,1H3,(H,26,28)