2-[(Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)but-1-en-2-yl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)but-1-en-2-yl]sulfanylethanoate Openeye Name: 2-[(1Z)-1-[(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)methylene]propyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)but-1-en-2-yl]thio]acetate IUPAC Name: 2-[(Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)but-1-en-2-yl]sulfanylacetate Traditional Name: 2-[[(Z)-1-ethyl-2-(3-ethyl-5-methoxy-1,3-benzothiazol-3-ium-2-yl)vinyl]thio]acetate Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CC)SCC(=O)[O-]

Isomeric SMILES

CC/C(=C/C1=[N+](C2=C(S1)C=CC(=C2)OC)CC)/SCC(=O)[O-]

InChI

InChI=1S/C16H19NO3S2/c1-4-12(21-10-16(18)19)9-15-17(5-2)13-8-11(20-3)6-7-14(13)22-15/h6-9H,4-5,10H2,1-3H3/b12-9-