ethyl 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxyacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxyacetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C28H29N3O5S/c1-5-12-31-18(3)13-21(19(31)4)14-22(16-29)27(33)36-17-25(32)30-26-23(28(34)35-6-2)15-24(37-26)20-10-8-7-9-11-20/h7-11,13-15H,5-6,12,17H2,1-4H3,(H,30,32)/b22-14+