(2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C17H14N2O3S2/c18-15(20)9-22-16(21)12-7-5-11(6-8-12)10-23-17-19-13-3-1-2-4-14(13)24-17/h1-8H,9-10H2,(H2,18,20)