2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitro-phenyl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitro-phenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitro-phenyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitrophenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitrophenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methyl-3-nitro-phenyl)vinyl]thio]acetate Formula: C18H13N2O4S2- MolecularWeight: 385.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S2/c1-11-6-7-12(8-14(11)20(23)24)9-16(25-10-17(21)22)18-19-13-4-2-3-5-15(13)26-18/h2-9H,10H2,1H3,(H,21,22)/p-1/b16-9-