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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitro-phenyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitrophenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitrophenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-nitro-phenyl)vinyl]thio]acetate Formula: C17H10ClN2O4S2- MolecularWeight: 405.8553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/SCC(=O)[O-]

InChI

InChI=1S/C17H11ClN2O4S2/c18-11-6-5-10(7-13(11)20(23)24)8-15(25-9-16(21)22)17-19-12-3-1-2-4-14(12)26-17/h1-8H,9H2,(H,21,22)/p-1/b15-8-