(8S)-3-(furan-2-ylmethyl)-6-oxidanylidene-8-(3,4,5-trimethoxyphenyl)-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)-6-oxidanylidene-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-3-(2-furylmethyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile CAS Name: (8S)-3-(2-furanylmethyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-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)-6-oxo-8-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C22H24N3O5S+ MolecularWeight: 442.50806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4

InChI

InChI=1S/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3/p+1/t16-/m0/s1