ethyl 4-(4-bromophenyl)-2-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OC

InChI

InChI=1S/C26H26BrNO5S/c1-4-14-33-21-12-6-17(15-22(21)31-3)7-13-23(29)28-25-24(26(30)32-5-2)20(16-34-25)18-8-10-19(27)11-9-18/h6-13,15-16H,4-5,14H2,1-3H3,(H,28,29)