ethyl 2-[(5-methyl-2-oxidanyl-phenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-methyl-2-oxidanyl-phenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-5-methyl-phenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-hydroxy-5-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-5-methyl-benzyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C=CC(=C3)C)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C=CC(=C3)C)O

InChI

InChI=1S/C19H23NO3S/c1-3-23-19(22)17-14-6-4-5-7-16(14)24-18(17)20-11-13-10-12(2)8-9-15(13)21/h8-10,20-21H,3-7,11H2,1-2H3