2-[4-methyl-2-(3-methyl-4-nitro-phenyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-(3-methyl-4-nitro-phenyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(3-methyl-4-nitro-phenyl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(3-methyl-4-nitrophenyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(3-methyl-4-nitrophenyl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[(3-methyl-4-nitro-phenyl)thio]thiazol-5-yl]acetic acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=NC(=C(S2)CC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=NC(=C(S2)CC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-7-5-9(3-4-10(7)15(18)19)20-13-14-8(2)11(21-13)6-12(16)17/h3-5H,6H2,1-2H3,(H,16,17)