ethyl 5-methyl-4-(4-nitrophenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-nitrophenyl)-2-[[1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-nitrophenyl)-2-[[3-(4-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C26H26N2O6S/c1-4-16-34-21-13-6-18(7-14-21)8-15-22(29)27-25-24(26(30)33-5-2)23(17(3)35-25)19-9-11-20(12-10-19)28(31)32/h6-15H,4-5,16H2,1-3H3,(H,27,29)