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

Systemtic Name: ethyl 5-azanyl-3-[2-[(3-bromophenyl)carbonylamino]ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H16BrN3O5S MolecularWeight: 466.30574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O5S/c1-2-26-18(25)15-13(12(7-20)16(21)28-15)9-27-14(23)8-22-17(24)10-4-3-5-11(19)6-10/h3-6H,2,8-9,21H2,1H3,(H,22,24)