(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c21-16(19-13-6-2-1-3-7-13)12-23-17(22)10-11-24-18-20-14-8-4-5-9-15(14)25-18/h1-9H,10-12H2,(H,19,21)