ethyl 3-methyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(4-thiazol-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-thiazolyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(4-thiazol-2-ylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CS3)C

InChI

InChI=1S/C17H22N4O3S2/c1-3-24-16(23)15-12(2)10-14(26-15)19-13(22)11-20-5-7-21(8-6-20)17-18-4-9-25-17/h4,9-10H,3,5-8,11H2,1-2H3,(H,19,22)