methyl 4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C17H13NO4S3 MolecularWeight: 391.48442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13NO4S3/c1-20-16(19)14-6-10(17(23-2)25-14)15-18-11(7-24-15)9-3-4-12-13(5-9)22-8-21-12/h3-7H,8H2,1-2H3