4-[[5-(1-ethoxy-1-oxidanylidene-butan-2-yl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[[5-(1-ethoxy-1-oxidanylidene-butan-2-yl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 4-[5-(1-ethoxycarbonylpropyl)-4-methyl-thiazol-2-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 4-[[5-(1-ethoxy-1-oxobutan-2-yl)-4-methyl-2-thiazolyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 4-[[5-(1-ethoxy-1-oxobutan-2-yl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Traditional Name: 4-[[5-(1-carbethoxypropyl)-4-methyl-thiazol-2-yl]thio]nicotinic acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N=C(S1)SC2=C(C=NC=C2)C(=O)O)C)C(=O)OCC

Isomeric SMILES

CCC(C1=C(N=C(S1)SC2=C(C=NC=C2)C(=O)O)C)C(=O)OCC

InChI

InChI=1S/C16H18N2O4S2/c1-4-10(15(21)22-5-2)13-9(3)18-16(24-13)23-12-6-7-17-8-11(12)14(19)20/h6-8,10H,4-5H2,1-3H3,(H,19,20)