propan-2-yl 2-[[(E)-3-(5-chloranyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(5-chloranyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(5-chloro-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-chloro-2-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(5-chloro-2-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-chloro-2-propoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-4-8-27-18-6-5-16(22)11-14(18)10-15(12-23)19(25)24-20-17(7-9-29-20)21(26)28-13(2)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,24,25)/b15-10+