propan-2-yl 2-[[(E)-2-cyano-3-(4-propanoyloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-propanoyloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(4-propanoyloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[4-(1-oxopropoxy)phenyl]prop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-propanoyloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-propionyloxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C

InChI

InChI=1S/C21H20N2O5S/c1-4-18(24)28-16-7-5-14(6-8-16)11-15(12-22)19(25)23-20-17(9-10-29-20)21(26)27-13(2)3/h5-11,13H,4H2,1-3H3,(H,23,25)/b15-11+