methyl 2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole-5-carboxylate

Systemtic Name: methyl 2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole-5-carboxylate Openeye Name: methyl 2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazole-5-carboxylic acid methyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c1-23-17(20)12-6-7-15-14(10-12)18-16(24-15)8-5-11-3-2-4-13(9-11)19(21)22/h2-10H,1H3/b8-5+