ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OCC

InChI

InChI=1S/C28H32N2O7S/c1-4-7-15-37-23-13-11-19(16-24(23)35-5-2)12-14-25(31)29-27-26(28(32)36-6-3)22(18-38-27)20-9-8-10-21(17-20)30(33)34/h8-11,13,16-18H,4-7,12,14-15H2,1-3H3,(H,29,31)