methyl 4-(1,3-benzodioxol-5-ylamino)-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylamino)-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylamino)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylamino)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13NO4S2/c1-17-13(16)12-6-9(14(20-2)21-12)15-8-3-4-10-11(5-8)19-7-18-10/h3-6,15H,7H2,1-2H3