methyl 3-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-3-[4-[(cyclopropylamino)-oxomethyl]phenyl]-1-oxoprop-2-enyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]acryloyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H22N2O4S/c1-27-20(25)13-17(18-3-2-12-28-18)23-19(24)11-6-14-4-7-15(8-5-14)21(26)22-16-9-10-16/h2-8,11-12,16-17H,9-10,13H2,1H3,(H,22,26)(H,23,24)/b11-6+