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

Systemtic Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H32N2O7S MolecularWeight: 552.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OC

InChI

InChI=1S/C29H32N2O7S/c1-4-6-7-8-16-38-24-14-12-20(17-25(24)36-3)13-15-26(32)30-28-27(29(33)37-5-2)23(19-39-28)21-10-9-11-22(18-21)31(34)35/h9-15,17-19H,4-8,16H2,1-3H3,(H,30,32)/b15-13+