ethyl 5-azanyl-3-[(3-bromophenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(3-bromophenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(3-bromobenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(3-bromophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(3-bromobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(3-bromobenzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O4S/c1-2-22-16(21)13-12(11(7-18)14(19)24-13)8-23-15(20)9-4-3-5-10(17)6-9/h3-6H,2,8,19H2,1H3