methyl 3-[[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[2-(2-furanylmethyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(2-furfuryl)-1,3-diketo-isoindoline-5-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C22H18N2O6S/c1-29-19(25)11-17(18-5-3-9-31-18)23-20(26)13-6-7-15-16(10-13)22(28)24(21(15)27)12-14-4-2-8-30-14/h2-10,17H,11-12H2,1H3,(H,23,26)