4-(4-bromophenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[[3-(3,4-dimethoxyphenyl)acryloyl]amino]-3-thenoic acid Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)OC

InChI

InChI=1S/C22H18BrNO5S/c1-28-17-9-3-13(11-18(17)29-2)4-10-19(25)24-21-20(22(26)27)16(12-30-21)14-5-7-15(23)8-6-14/h3-12H,1-2H3,(H,24,25)(H,26,27)