methyl 4-azanyl-5-(phenylmethylsulfanyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-azanyl-5-(phenylmethylsulfanyl)thiophene-2-carboxylate Openeye Name: methyl 4-amino-5-benzylsulfanyl-thiophene-2-carboxylate CAS Name: 4-amino-5-(phenylmethylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-benzylsulfanylthiophene-2-carboxylate Traditional Name: 4-amino-5-(benzylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SCC2=CC=CC=C2)N

InChI

InChI=1S/C13H13NO2S2/c1-16-12(15)11-7-10(14)13(18-11)17-8-9-5-3-2-4-6-9/h2-7H,8,14H2,1H3