(2R,4S)-2-(6-methyl-4-oxidanylidene-chromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-(6-methyl-4-oxidanylidene-chromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-(6-methyl-4-oxo-chromen-3-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-(6-methyl-4-oxo-1-benzopyran-3-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-(6-methyl-4-oxochromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-(4-keto-6-methyl-chromen-3-yl)thiazolidin-3-ium-4-carboxylate Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C3[NH2+]C(CS3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)[C@@H]3[NH2+][C@H](CS3)C(=O)[O-]

InChI

InChI=1S/C14H13NO4S/c1-7-2-3-11-8(4-7)12(16)9(5-19-11)13-15-10(6-20-13)14(17)18/h2-5,10,13,15H,6H2,1H3,(H,17,18)/t10-,13-/m1/s1