methyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]acetate CAS Name: 2-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]acetate Traditional Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]acetic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S2/c1-23-16(21)10-19-17(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,19,22)