[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4O4S2/c1-11(23)19-17-20-13(10-27-17)16(25)26-9-15(24)22-6-4-21(5-7-22)8-12-2-3-14(18)28-12/h2-3,10H,4-9H2,1H3,(H,19,20,23)