N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3O3S2/c1-2-22-11-6-7-12-13(9-11)24-16(17-12)18-14(20)10-23-15-5-3-4-8-19(15)21/h3-9H,2,10H2,1H3,(H,17,18,20)