N-(4-cyano-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxy-benzamide

Systemtic Name: N-(4-cyano-1-oxidanylidene-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxy-benzamide Openeye Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxy-benzamide CAS Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxybenzamide IUPAC Name: N-(4-cyano-1-oxo-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxybenzamide Traditional Name: N-(4-cyano-1-keto-5aH-pyrido[2,1-b][1,3]benzothiazol-10-ium-2-yl)-4-methoxy-benzamide Formula: C20H14N3O3S+ MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC(=C3[N+](=C4C=CC=CC4S3)C2=O)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=C3[N+](=C4C=CC=CC4S3)C2=O)C#N

InChI

InChI=1S/C20H13N3O3S/c1-26-14-8-6-12(7-9-14)18(24)22-15-10-13(11-21)20-23(19(15)25)16-4-2-3-5-17(16)27-20/h2-10,17H,1H3/p+1