methyl 2-[2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methoxy-benzyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

InChI

InChI=1S/C22H28ClN3O4S/c1-4-17-12-18(22(28)30-3)21(31-17)24-20(27)14-26-9-7-25(8-10-26)13-15-11-16(23)5-6-19(15)29-2/h5-6,11-12H,4,7-10,13-14H2,1-3H3,(H,24,27)