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

Systemtic Name: propan-2-yl 2-[[(E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(5-bromo-2-isopentyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-isoamoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C23H25BrN2O4S MolecularWeight: 505.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C

InChI

InChI=1S/C23H25BrN2O4S/c1-14(2)7-9-29-20-6-5-18(24)12-16(20)11-17(13-25)21(27)26-22-19(8-10-31-22)23(28)30-15(3)4/h5-6,8,10-12,14-15H,7,9H2,1-4H3,(H,26,27)/b17-11+