methyl 4-chloranyl-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-chloro-3-isopropylsulfanyl-benzothiophene-2-carboxylate CAS Name: 4-chloro-3-(propan-2-ylthio)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-propan-2-ylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 4-chloro-3-(isopropylthio)benzothiophene-2-carboxylic acid methyl ester Formula: C13H13ClO2S2 MolecularWeight: 300.82412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(SC2=C1C(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)SC1=C(SC2=C1C(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C13H13ClO2S2/c1-7(2)17-11-10-8(14)5-4-6-9(10)18-12(11)13(15)16-3/h4-7H,1-3H3