O2-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester O4-isopropyl ester Formula: C20H25ClN2O5S MolecularWeight: 440.9409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

InChI

InChI=1S/C20H25ClN2O5S/c1-6-23(9-14-7-8-15(21)29-14)16(24)10-27-20(26)18-12(4)17(13(5)22-18)19(25)28-11(2)3/h7-8,11,22H,6,9-10H2,1-5H3