ethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(3-chlorophenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)Cl)C#N)C

InChI

InChI=1S/C18H15ClN2O3S/c1-3-24-18(23)16-11(2)14(10-20)17(25-16)21-15(22)8-7-12-5-4-6-13(19)9-12/h4-9H,3H2,1-2H3,(H,21,22)