ethyl 6-(hydroxymethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-(hydroxymethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-(hydroxymethyl)-3-(3-methoxyphenyl)sulfanyl-benzothiophene-2-carboxylate CAS Name: 6-(hydroxymethyl)-3-[(3-methoxyphenyl)thio]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(hydroxymethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[(3-methoxyphenyl)thio]-6-methylol-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H18O4S2 MolecularWeight: 374.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CO)SC3=CC=CC(=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CO)SC3=CC=CC(=C3)OC

InChI

InChI=1S/C19H18O4S2/c1-3-23-19(21)18-17(24-14-6-4-5-13(10-14)22-2)15-8-7-12(11-20)9-16(15)25-18/h4-10,20H,3,11H2,1-2H3