ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: ethyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid ethyl ester Formula: C13H12N2O4S2 MolecularWeight: 324.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC2=NC(=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC2=NC(=CS2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-3-19-12(16)9-4-5-11(10(6-9)15(17)18)21-13-14-8(2)7-20-13/h4-7H,3H2,1-2H3