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

Systemtic Name: ethyl 4-cyano-5-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[3-(3,4-dichlorophenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2O3S/c1-3-25-18(24)16-10(2)12(9-21)17(26-16)22-15(23)7-5-11-4-6-13(19)14(20)8-11/h4-8H,3H2,1-2H3,(H,22,23)