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

Systemtic Name: ethyl 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C26H26N2O7S/c1-4-13-35-21-11-9-17(14-22(21)33-3)10-12-23(29)27-25-24(26(30)34-5-2)20(16-36-25)18-7-6-8-19(15-18)28(31)32/h6-12,14-16H,4-5,13H2,1-3H3,(H,27,29)/b12-10+