methyl 5-(3-bromanylthiophen-2-yl)sulfanyl-4-(3-chloranylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(3-bromanylthiophen-2-yl)sulfanyl-4-(3-chloranylpropanoylamino)thiophene-2-carboxylate Openeye Name: methyl 5-[(3-bromo-2-thienyl)sulfanyl]-4-(3-chloropropanoylamino)thiophene-2-carboxylate CAS Name: 5-[(3-bromo-2-thiophenyl)thio]-4-[(3-chloro-1-oxopropyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-bromothiophen-2-yl)sulfanyl-4-(3-chloropropanoylamino)thiophene-2-carboxylate Traditional Name: 5-[(3-bromo-2-thienyl)thio]-4-(3-chloropropanoylamino)thiophene-2-carboxylic acid methyl ester Formula: C13H11BrClNO3S3 MolecularWeight: 440.78334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC2=C(C=CS2)Br)NC(=O)CCCl

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC2=C(C=CS2)Br)NC(=O)CCCl

InChI

InChI=1S/C13H11BrClNO3S3/c1-19-11(18)9-6-8(16-10(17)2-4-15)13(21-9)22-12-7(14)3-5-20-12/h3,5-6H,2,4H2,1H3,(H,16,17)