S-phenyl (4aR,8S,8aR)-1-oxidanylidene-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioate

Systemtic Name: S-phenyl (4aR,8S,8aR)-1-oxidanylidene-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioate Openeye Name: S-phenyl (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioate CAS Name: (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl (4aR,8S,8aR)-1-oxo-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioate Traditional Name: (4aR,8S,8aR)-1-keto-2-phenethyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carbothioic acid S-phenyl ester Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2C1C=CCC2C(=O)SC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)[C@@H]2[C@H]1C=CC[C@@H]2C(=O)SC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO2S/c26-23-22-19(15-17-25(23)16-14-18-8-3-1-4-9-18)10-7-13-21(22)24(27)28-20-11-5-2-6-12-20/h1-12,19,21-22H,13-17H2/t19-,21-,22+/m0/s1