(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(p-tolylsulfanyl)phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(p-tolylthio)phenyl]pent-4-enoate Formula: C25H19N2O4S2- MolecularWeight: 475.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O4S2/c1-16-6-10-19(11-7-16)32-23-12-8-17(15-21(23)27(30)31)14-18(9-13-24(28)29)25-26-20-4-2-3-5-22(20)33-25/h2-8,10-12,14-15H,9,13H2,1H3,(H,28,29)/p-1/b18-14+