(8S)-3-(furan-2-ylmethyl)-8-(2-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-(furan-2-ylmethyl)-8-(2-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-(2-furylmethyl)-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)-3-(2-furanylmethyl)-8-(2-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-(furan-2-ylmethyl)-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-(2-furfuryl)-6-keto-8-(2-methoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4

InChI

InChI=1S/C20H19N3O3S/c1-25-18-7-3-2-6-15(18)16-9-19(24)23-12-22(11-14-5-4-8-26-14)13-27-20(23)17(16)10-21/h2-8,16H,9,11-13H2,1H3/p+1/t16-/m0/s1