methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(3,4-dichlorophenyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H15Cl2NO3S MolecularWeight: 432.3197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2NO3S/c1-27-21(26)15-12-18(14-5-3-2-4-6-14)28-20(15)24-19(25)10-8-13-7-9-16(22)17(23)11-13/h2-12H,1H3,(H,24,25)