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

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C)OC

InChI

InChI=1S/C22H24N2O5S/c1-5-9-28-18-7-6-15(12-19(18)27-4)11-16(13-23)20(25)24-21-17(8-10-30-21)22(26)29-14(2)3/h6-8,10-12,14H,5,9H2,1-4H3,(H,24,25)/b16-11+