(8S)-8-(2-methoxyphenyl)-6-oxidanylidene-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile

Systemtic Name: (8S)-8-(2-methoxyphenyl)-6-oxidanylidene-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-3-benzyl-8-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile CAS Name: (8S)-8-(2-methoxyphenyl)-6-oxo-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile IUPAC Name: (8S)-3-benzyl-8-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Traditional Name: (8S)-3-benzyl-6-keto-8-(2-methoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-27-20-10-6-5-9-17(20)18-11-21(26)25-14-24(13-16-7-3-2-4-8-16)15-28-22(25)19(18)12-23/h2-10,18H,11,13-15H2,1H3/p+1/t18-/m0/s1