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

Systemtic Name: ethyl 5-azanyl-3-[(4-bromophenyl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-bromophenyl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-bromophenyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-bromophenyl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-bromophenyl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C15H13BrN2O2S2 MolecularWeight: 397.30992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H13BrN2O2S2/c1-2-20-15(19)13-12(11(7-17)14(18)22-13)8-21-10-5-3-9(16)4-6-10/h3-6H,2,8,18H2,1H3