methyl 3-(cyclobutylcarbonylamino)-5-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoate

Systemtic Name: methyl 3-(cyclobutylcarbonylamino)-5-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoate Openeye Name: methyl 3-(cyclobutanecarbonylamino)-5-[[[(E)-3-(2-thienyl)prop-2-enoyl]amino]methyl]benzoate CAS Name: 3-[[cyclobutyl(oxo)methyl]amino]-5-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(cyclobutanecarbonylamino)-5-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoate Traditional Name: 3-(cyclobutanecarbonylamino)-5-[[[(E)-3-(2-thienyl)acryloyl]amino]methyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCC2)CNC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCC2)CNC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)16-10-14(11-17(12-16)23-20(25)15-4-2-5-15)13-22-19(24)8-7-18-6-3-9-28-18/h3,6-12,15H,2,4-5,13H2,1H3,(H,22,24)(H,23,25)/b8-7+