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2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid

Systemtic Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid
Openeye Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(benzylamino)-3-oxo-propanoic acid
CAS Name:2-[(1,3-benzothiazol-2-ylthio)methyl]-3-oxo-3-[(phenylmethyl)amino]propanoic acid
IUPAC Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(benzylamino)-3-oxopropanoic acid
Traditional Name:2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(benzylamino)-3-keto-propionic acid
Formula: C18H16N2O3S2
MolecularWeight: 372.46124
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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