3-methoxypropyl 5-[5-[5-[3-(3-oxidanylidenebutanoyloxy)propoxycarbonyl]-1H-pyrrol-2-yl]thiophen-2-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3-methoxypropyl 5-[5-[5-[3-(3-oxidanylidenebutanoyloxy)propoxycarbonyl]-1H-pyrrol-2-yl]thiophen-2-yl]-1H-pyrrole-2-carboxylate Openeye Name: 3-methoxypropyl 5-[5-[5-[3-(3-oxobutanoyloxy)propoxycarbonyl]-1H-pyrrol-2-yl]-2-thienyl]-1H-pyrrole-2-carboxylate CAS Name: 5-[5-[5-[3-(1,3-dioxobutoxy)propoxy-oxomethyl]-1H-pyrrol-2-yl]-2-thiophenyl]-1H-pyrrole-2-carboxylic acid 3-methoxypropyl ester IUPAC Name: 3-methoxypropyl 5-[5-[5-[3-(3-oxobutanoyloxy)propoxycarbonyl]-1H-pyrrol-2-yl]thiophen-2-yl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[5-[5-(3-acetoacetyloxypropoxycarbonyl)-1H-pyrrol-2-yl]-2-thienyl]-1H-pyrrole-2-carboxylic acid 3-methoxypropyl ester Formula: C25H28N2O8S MolecularWeight: 516.56342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCOC(=O)C1=CC=C(N1)C2=CC=C(S2)C3=CC=C(N3)C(=O)OCCCOC

Isomeric SMILES

CC(=O)CC(=O)OCCCOC(=O)C1=CC=C(N1)C2=CC=C(S2)C3=CC=C(N3)C(=O)OCCCOC

InChI

InChI=1S/C25H28N2O8S/c1-16(28)15-23(29)33-12-4-14-35-25(31)20-8-6-18(27-20)22-10-9-21(36-22)17-5-7-19(26-17)24(30)34-13-3-11-32-2/h5-10,26-27H,3-4,11-15H2,1-2H3