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

Systemtic Name: ethyl 2-[3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H28BrNO5S MolecularWeight: 558.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC)OC

InChI

InChI=1S/C27H28BrNO5S/c1-5-17-8-11-19(12-9-17)20-16-35-26(24(20)27(31)34-7-3)29-23(30)13-10-18-14-21(28)25(33-6-2)22(15-18)32-4/h8-16H,5-7H2,1-4H3,(H,29,30)