methyl 3-[[5-[(4-methylphenoxy)methyl]furan-2-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[5-[(4-methylphenoxy)methyl]furan-2-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[5-[(4-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[5-[(4-methylphenoxy)methyl]-2-furoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H21NO5S/c1-14-5-7-15(8-6-14)26-13-16-9-10-18(27-16)21(24)22-17(12-20(23)25-2)19-4-3-11-28-19/h3-11,17H,12-13H2,1-2H3,(H,22,24)