methyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OC

InChI

InChI=1S/C20H19BrN2O5S/c1-4-6-28-17-15(21)9-12(10-16(17)26-2)8-13(11-22)18(24)23-19-14(5-7-29-19)20(25)27-3/h5,7-10H,4,6H2,1-3H3,(H,23,24)/b13-8+