ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(3,4-dichlorophenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-16(15-6-4-3-5-7-15)13-29-21(20)25-19(26)11-9-14-8-10-17(23)18(24)12-14/h3-13H,2H2,1H3,(H,25,26)