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

Systemtic Name: methyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(2,4-dichlorophenyl)acryloyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

InChI

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