N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-acetamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenylacetamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenylacetamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-phenyl-acetamide Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-23-14-7-8-15-16(12-14)24-18(20(15)22)9-10-19-17(21)11-13-5-3-2-4-6-13/h2-8,12,18H,9-11H2,1H3/p+1