(E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pent-4-enoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4S/c21-17(22)9-8-13(10-12-4-3-5-14(11-12)20(23)24)18-19-15-6-1-2-7-16(15)25-18/h1-7,10-11H,8-9H2,(H,21,22)/b13-10+