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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

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