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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-amino-2-keto-ethyl) ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)N

InChI

InChI=1S/C12H12N2O3S/c13-10(15)7-17-12(16)6-5-11-14-8-3-1-2-4-9(8)18-11/h1-4H,5-7H2,(H2,13,15)