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

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-2-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-isopropoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-propan-2-yloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-propan-2-yloxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-isopropoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OC(C)C)/C#N

InChI

InChI=1S/C20H19BrN2O4S/c1-4-26-20(25)16-7-8-28-19(16)23-18(24)14(11-22)9-13-10-15(21)5-6-17(13)27-12(2)3/h5-10,12H,4H2,1-3H3,(H,23,24)/b14-9+