ethyl 6-[4-[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(4-methyl-2-thioxo-3H-thiazol-5-yl)acetyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-(4-methyl-2-sulfanylidene-3H-thiazol-5-yl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-(4-methyl-2-thioxo-4-thiazolin-5-yl)acetyl]piperazino]nicotinic acid ethyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC(=S)S3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC(=S)S3)C

InChI

InChI=1S/C18H22N4O3S2/c1-3-25-17(24)13-4-5-15(19-11-13)21-6-8-22(9-7-21)16(23)10-14-12(2)20-18(26)27-14/h4-5,11H,3,6-10H2,1-2H3,(H,20,26)