methyl 3-[(2,4-dichlorophenyl)-oxidanyl-methyl]-2-methyl-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 3-[(2,4-dichlorophenyl)-oxidanyl-methyl]-2-methyl-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-[(2,4-dichlorophenyl)-hydroxy-methyl]-2-methyl-benzothiophene-5-carboxylate CAS Name: 3-[(2,4-dichlorophenyl)-hydroxymethyl]-2-methyl-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2,4-dichlorophenyl)-hydroxymethyl]-2-methyl-1-benzothiophene-5-carboxylate Traditional Name: 3-[(2,4-dichlorophenyl)-hydroxy-methyl]-2-methyl-benzothiophene-5-carboxylic acid methyl ester Formula: C18H14Cl2O3S MolecularWeight: 381.27296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)C(C3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)C(C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H14Cl2O3S/c1-9-16(17(21)12-5-4-11(19)8-14(12)20)13-7-10(18(22)23-2)3-6-15(13)24-9/h3-8,17,21H,1-2H3