(6S,7R)-6-oxidanyl-4-(phenylmethyl)-7-propyl-1,4-thiazepan-3-one

Systemtic Name: (6S,7R)-6-oxidanyl-4-(phenylmethyl)-7-propyl-1,4-thiazepan-3-one Openeye Name: (6S,7R)-4-benzyl-6-hydroxy-7-propyl-1,4-thiazepan-3-one CAS Name: (6S,7R)-6-hydroxy-4-(phenylmethyl)-7-propyl-1,4-thiazepan-3-one IUPAC Name: (6S,7R)-4-benzyl-6-hydroxy-7-propyl-1,4-thiazepan-3-one Traditional Name: (6S,7R)-4-benzyl-6-hydroxy-7-propyl-1,4-thiazepan-3-one Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CN(C(=O)CS1)CC2=CC=CC=C2)O

Isomeric SMILES

CCC[C@@H]1[C@H](CN(C(=O)CS1)CC2=CC=CC=C2)O

InChI

InChI=1S/C15H21NO2S/c1-2-6-14-13(17)10-16(15(18)11-19-14)9-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3/t13-,14+/m0/s1