propan-2-yl 2-[[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C)OC

InChI

InChI=1S/C21H21BrN2O5S/c1-5-28-18-16(22)9-13(10-17(18)27-4)8-14(11-23)19(25)24-20-15(6-7-30-20)21(26)29-12(2)3/h6-10,12H,5H2,1-4H3,(H,24,25)/b14-8+