(8S)-3-(furan-2-ylmethyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-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-(3-methoxy-4-phenylmethoxy-phenyl)-6-oxidanylidene-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-8-(4-benzyloxy-3-methoxy-phenyl)-3-(2-furylmethyl)-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-(3-methoxy-4-phenylmethoxyphenyl)-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-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Traditional Name: (8S)-8-(4-benzoxy-3-methoxy-phenyl)-3-(2-furfuryl)-6-keto-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C27H26N3O4S+ MolecularWeight: 488.57804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2CC(=O)N3C[NH+](CSC3=C2C#N)CC4=CC=CO4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-32-25-12-20(9-10-24(25)34-16-19-6-3-2-4-7-19)22-13-26(31)30-17-29(15-21-8-5-11-33-21)18-35-27(30)23(22)14-28/h2-12,22H,13,15-18H2,1H3/p+1/t22-/m0/s1