methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-13-10-16(14(2)22(13)12-15-6-4-8-26-15)20(24)21-17(11-19(23)25-3)18-7-5-9-27-18/h4-10,17H,11-12H2,1-3H3,(H,21,24)