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

Systemtic Name: ethyl 3-[2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-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)10-11-21-15-8-3-4-9-16(15)28-19(21)20-18(24)13-6-5-7-14(12-13)22(25)26/h3-9,12H,2,10-11H2,1H3