5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: 5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: 3-isopropylsulfanyl-5-methoxy-benzothiophene-2-carboxylate CAS Name: 5-methoxy-3-(propan-2-ylthio)-1-benzothiophene-2-carboxylate IUPAC Name: 5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-(isopropylthio)-5-methoxy-benzothiophene-2-carboxylate Formula: C13H13O3S2- MolecularWeight: 281.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(SC2=C1C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CC(C)SC1=C(SC2=C1C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C13H14O3S2/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H,14,15)/p-1