ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)OC

InChI

InChI=1S/C31H33N3O7S/c1-5-7-8-9-16-41-25-15-10-21(18-26(25)39-4)17-23(19-32)29(35)33-30-28(31(36)40-6-2)27(20(3)42-30)22-11-13-24(14-12-22)34(37)38/h10-15,17-18H,5-9,16H2,1-4H3,(H,33,35)/b23-17+