2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)vinyl]thio]acetic acid Formula: C17H12N2O4S2 MolecularWeight: 372.41818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O4S2/c20-16(21)10-24-15(9-11-5-7-12(8-6-11)19(22)23)17-18-13-3-1-2-4-14(13)25-17/h1-9H,10H2,(H,20,21)/b15-9-