ethyl (6R)-2-azanyl-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-azanyl-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-amino-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-amino-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-amino-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-amino-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=C(C=C3)O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=C(C=C3)O)N

InChI

InChI=1S/C17H19NO3S/c1-2-21-17(20)15-13-8-5-11(9-14(13)22-16(15)18)10-3-6-12(19)7-4-10/h3-4,6-7,11,19H,2,5,8-9,18H2,1H3/t11-/m1/s1