ethyl 3-[oxidanyl(phenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: ethyl 3-[oxidanyl(phenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: ethyl 3-[hydroxy(phenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 3-[hydroxy(phenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[hydroxy(phenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 3-[hydroxy(phenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid ethyl ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)SC=C2C(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)SC=C2C(C3=CC=CC=C3)O

InChI

InChI=1S/C18H20O3S/c1-2-21-18(20)13-8-9-14-15(11-22-16(14)10-13)17(19)12-6-4-3-5-7-12/h3-7,11,13,17,19H,2,8-10H2,1H3