ethyl 2-[3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acryloyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H25BrN2O7S MolecularWeight: 589.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)OC

InChI

InChI=1S/C26H25BrN2O7S/c1-5-35-24-19(27)13-16(14-20(24)34-4)7-12-21(30)28-25-23(26(31)36-6-2)22(15(3)37-25)17-8-10-18(11-9-17)29(32)33/h7-14H,5-6H2,1-4H3,(H,28,30)