methyl 4-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C19H18N2O3S2/c1-24-18(23)14-8-6-13(7-9-14)10-20-17(22)12-26-19-21-16-5-3-2-4-15(16)11-25-19/h2-9H,10-12H2,1H3,(H,20,22)