(2S,4S)-2-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-(2-cyanobenzyl)oxy-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[NH2+][C@H](CS2)C(=O)[O-])OCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N2O4S/c1-24-17-8-12(18-21-15(11-26-18)19(22)23)6-7-16(17)25-10-14-5-3-2-4-13(14)9-20/h2-8,15,18,21H,10-11H2,1H3,(H,22,23)/t15-,18+/m1/s1