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

Systemtic Name: (8S)-3-cyclohexyl-8-(3-methoxyphenyl)-6-oxidanylidene-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-3-cyclohexyl-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile CAS Name: (8S)-3-cyclohexyl-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile IUPAC Name: (8S)-3-cyclohexyl-8-(3-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-cyclohexyl-6-keto-8-(3-methoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=O)N3C[NH+](CSC3=C2C#N)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2CC(=O)N3C[NH+](CSC3=C2C#N)C4CCCCC4

InChI

InChI=1S/C21H25N3O2S/c1-26-17-9-5-6-15(10-17)18-11-20(25)24-13-23(16-7-3-2-4-8-16)14-27-21(24)19(18)12-22/h5-6,9-10,16,18H,2-4,7-8,11,13-14H2,1H3/p+1/t18-/m0/s1