methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-21(11-13-7-9-14(10-8-13)18(23)24-2)17(22)12-25-19-20-15-5-3-4-6-16(15)26-19/h3-10H,11-12H2,1-2H3