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

Systemtic Name: ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(salicylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=CC=CC=C3O

InChI

InChI=1S/C18H21NO3S/c1-2-22-18(21)16-13-8-4-6-10-15(13)23-17(16)19-11-12-7-3-5-9-14(12)20/h3,5,7,9,19-20H,2,4,6,8,10-11H2,1H3