2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]thiazol-2-yl]carbamoyl]benzoic acid Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C18H16N4O3S2/c1-10-7-11(2)20-17(19-10)26-8-12-9-27-18(21-12)22-15(23)13-5-3-4-6-14(13)16(24)25/h3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23)