ethyl 4-(4-bromophenyl)-2-[3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(2-chloro-6-fluoro-phenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(2-chloro-6-fluorophenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H16BrClFNO3S MolecularWeight: 508.787743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C=CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H16BrClFNO3S/c1-2-29-22(28)20-16(13-6-8-14(23)9-7-13)12-30-21(20)26-19(27)11-10-15-17(24)4-3-5-18(15)25/h3-12H,2H2,1H3,(H,26,27)