(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-nitrophenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-nitrophenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-nitrophenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-nitrophenyl)acrylic acid Formula: C16H10N2O4S2 MolecularWeight: 358.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O4S2/c19-15(20)14(9-10-4-3-5-11(8-10)18(21)22)24-16-17-12-6-1-2-7-13(12)23-16/h1-9H,(H,19,20)/b14-9+