(3S)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol CAS Name: (3S)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Traditional Name: (3S)-3-(3-nitrophenyl)-1-p-phenetyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC([N+]3=C2SCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@]([N+]3=C2SCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H22N3O4S/c1-2-27-18-9-7-16(8-10-18)21-14-20(24,22-11-4-12-28-19(21)22)15-5-3-6-17(13-15)23(25)26/h3,5-10,13,24H,2,4,11-12,14H2,1H3/q+1/t20-/m1/s1