ethyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(2-chlorophenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H22ClNO3S MolecularWeight: 439.95438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C24H22ClNO3S/c1-3-16-9-11-17(12-10-16)19-15-30-23(22(19)24(28)29-4-2)26-21(27)14-13-18-7-5-6-8-20(18)25/h5-15H,3-4H2,1-2H3,(H,26,27)