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

Systemtic Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-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)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H34N2O7S MolecularWeight: 566.66516

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H34N2O7S/c1-5-7-8-9-18-39-24-16-10-21(19-25(24)37-4)11-17-26(33)31-29-28(30(34)38-6-2)27(20(3)40-29)22-12-14-23(15-13-22)32(35)36/h10-17,19H,5-9,18H2,1-4H3,(H,31,33)/b17-11+