(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoate CAS Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate Traditional Name: 3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C24H22N3O5S2+ MolecularWeight: 496.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC(=O)[N+]5=C(N4)SC=C5C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC(=O)[N+]5=C(N4)SC=C5C

InChI

InChI=1S/C24H21N3O5S2/c1-15-10-17-6-3-4-9-21(17)27(15)34(30,31)20-8-5-7-18(11-20)23(29)32-13-19-12-22(28)26-16(2)14-33-24(26)25-19/h3-9,11-12,14-15H,10,13H2,1-2H3/p+1/t15-/m0/s1