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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl

InChI

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