ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(3,4-dichlorophenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H14Cl2N2O4S MolecularWeight: 425.28576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O4S/c1-2-25-18(24)16-12(11(8-21)17(22)27-16)9-26-15(23)6-4-10-3-5-13(19)14(20)7-10/h3-7H,2,9,22H2,1H3/b6-4+