ethyl 4-(4-bromophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(3,4-diethoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO5S MolecularWeight: 544.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OCC

InChI

InChI=1S/C26H26BrNO5S/c1-4-31-21-13-7-17(15-22(21)32-5-2)8-14-23(29)28-25-24(26(30)33-6-3)20(16-34-25)18-9-11-19(27)12-10-18/h7-16H,4-6H2,1-3H3,(H,28,29)