(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

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