(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S/c19-18(22)17(12-6-2-1-3-7-12)23-16(21)11-10-15-20-13-8-4-5-9-14(13)24-15/h1-9,17H,10-11H2,(H2,19,22)