[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic 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] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C23H25ClN2O5S MolecularWeight: 476.973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C23H25ClN2O5S/c1-3-29-16-4-6-19-18(12-16)15(2)22(31-19)23(28)30-14-21(27)26-10-8-25(9-11-26)13-17-5-7-20(24)32-17/h4-7,12H,3,8-11,13-14H2,1-2H3