ethyl 2-[[(E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-bromo-5-phenylsulfanyl-2-furyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[4-bromo-5-(phenylthio)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-bromo-5-phenylsulfanylfuran-2-yl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[4-bromo-5-(phenylthio)-2-furyl]-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H19BrN2O4S2 MolecularWeight: 531.44196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(O2)SC3=CC=CC=C3)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(O2)SC3=CC=CC=C3)Br)/C#N

InChI

InChI=1S/C23H19BrN2O4S2/c1-4-29-22(28)19-13(2)14(3)31-21(19)26-20(27)15(12-25)10-16-11-18(24)23(30-16)32-17-8-6-5-7-9-17/h5-11H,4H2,1-3H3,(H,26,27)/b15-10+