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

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(3-bromophenyl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(3-bromophenyl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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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(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S/c1-2-24-18(23)16-14(13(9-20)17(21)26-16)10-25-15(22)7-6-11-4-3-5-12(19)8-11/h3-8H,2,10,21H2,1H3/b7-6+