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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S2/c1-19-16(21)10-23-17(22)13-8-6-12(7-9-13)11-24-18-20-14-4-2-3-5-15(14)25-18/h2-9H,10-11H2,1H3,(H,19,21)