methyl 4-[1-[3-(dibutylamino)propyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[3-(dibutylamino)propyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-[3-(dibutylamino)propyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-[3-(dibutylamino)propyl]-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[3-(dibutylamino)propyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-[3-(dibutylamino)propyl]-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN(CCCC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H36N2O5S/c1-4-6-15-29(16-7-5-2)17-9-18-30-24(20-11-13-21(14-12-20)28(34)35-3)23(26(32)27(30)33)25(31)22-10-8-19-36-22/h8,10-14,19,24,32H,4-7,9,15-18H2,1-3H3