(Z)-4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-2-methyl-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid Traditional Name: (Z)-4-[4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-4-keto-2-methyl-but-2-enoic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C=C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)/C=C(/C)\C(=O)O)C

InChI

InChI=1S/C17H17N3O3S/c1-10(16(22)23)8-15(21)20-13-4-6-14(7-5-13)24-17-18-11(2)9-12(3)19-17/h4-9H,1-3H3,(H,20,21)(H,22,23)/b10-8-