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

Systemtic Name: (2S)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)-3-phenyl-propanoate Openeye Name: (2S)-2-(3-oxo-1,2-benzothiazol-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(3-oxo-1,2-benzothiazol-2-yl)-3-phenylpropanoate IUPAC Name: (2S)-2-(3-oxo-1,2-benzothiazol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(3-keto-1,2-benzothiazol-2-yl)-3-phenyl-propionate Formula: C16H12NO3S- MolecularWeight: 298.33638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO3S/c18-15-12-8-4-5-9-14(12)21-17(15)13(16(19)20)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,19,20)/p-1/t13-/m0/s1