ethyl 3-[2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-2-27-17(23)11-12-21-15-9-5-6-10-16(15)28-19(21)20-18(24)13-7-3-4-8-14(13)22(25)26/h3-10H,2,11-12H2,1H3