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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N

InChI

InChI=1S/C16H12N2O3S/c17-14(19)9-21-16(20)11-6-2-1-5-10(11)15-18-12-7-3-4-8-13(12)22-15/h1-8H,9H2,(H2,17,19)