3-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-oxidanylidene-propanamide

Systemtic Name: 3-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-oxidanylidene-propanamide Openeye Name: 3-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-oxo-propanamide CAS Name: 3-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-oxopropanamide IUPAC Name: 3-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-oxopropanamide Traditional Name: 3-cyano-2-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)propionamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c1-27-12-6-7-14-15(8-12)28-18(20-14)21-17(24)16(23)13(9-19)10-2-4-11(5-3-10)22(25)26/h2-8,13H,1H3,(H,20,21,24)