9-methyl-4-oxidanylidene-9-pent-4-enyl-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate

Systemtic Name: 9-methyl-4-oxidanylidene-9-pent-4-enyl-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate Openeye Name: 3-benzyl-9-methyl-4-oxo-9-pent-4-enyl-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate CAS Name: 9-methyl-4-oxo-9-pent-4-enyl-3-(phenylmethyl)-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate IUPAC Name: 3-benzyl-9-methyl-4-oxo-9-pent-4-enyl-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate Traditional Name: 3-benzyl-4-keto-9-methyl-9-pent-4-enyl-7,8-dihydro-6H-pyrido[2,1-b][1,3]thiazin-5-ium-2-olate Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[N+]2=C1SC(=C(C2=O)CC3=CC=CC=C3)[O-])CCCC=C

Isomeric SMILES

CC1(CCC[N+]2=C1SC(=C(C2=O)CC3=CC=CC=C3)[O-])CCCC=C

InChI

InChI=1S/C21H25NO2S/c1-3-4-8-12-21(2)13-9-14-22-18(23)17(19(24)25-20(21)22)15-16-10-6-5-7-11-16/h3,5-7,10-11H,1,4,8-9,12-15H2,2H3