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

Systemtic Name: 2-[4-methyl-2-(4-nitrophenyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(4-nitrophenyl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(4-nitrophenyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(4-nitrophenyl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[(4-nitrophenyl)thio]thiazol-5-yl]acetic acid Formula: C12H10N2O4S2 MolecularWeight: 310.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H10N2O4S2/c1-7-10(6-11(15)16)20-12(13-7)19-9-4-2-8(3-5-9)14(17)18/h2-5H,6H2,1H3,(H,15,16)