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

Systemtic Name: methyl 2-[3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-bromo-4-methoxy-phenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromo-4-methoxyphenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C25H24BrNO5S MolecularWeight: 530.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C25H24BrNO5S/c1-5-32-18-10-8-17(9-11-18)22-15(2)33-24(23(22)25(29)31-4)27-21(28)13-7-16-6-12-20(30-3)19(26)14-16/h6-14H,5H2,1-4H3,(H,27,28)