methyl 3-azanyl-5-(1,3-benzodioxol-5-yl)-4-ethylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(1,3-benzodioxol-5-yl)-4-ethylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-(1,3-benzodioxol-5-yl)-4-ethylsulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-5-(1,3-benzodioxol-5-yl)-4-(ethylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(1,3-benzodioxol-5-yl)-4-ethylsulfanylthiophene-2-carboxylate Traditional Name: 3-amino-5-(1,3-benzodioxol-5-yl)-4-(ethylthio)thiophene-2-carboxylic acid methyl ester Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC(=C1N)C(=O)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCSC1=C(SC(=C1N)C(=O)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H15NO4S2/c1-3-21-13-11(16)14(15(17)18-2)22-12(13)8-4-5-9-10(6-8)20-7-19-9/h4-6H,3,7,16H2,1-2H3