(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazolidin-3-ium-4-carboxamide

Systemtic Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazolidin-3-ium-4-carboxamide Openeye Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazolidin-3-ium-4-carboxamide CAS Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-thiazolidin-3-iumcarboxamide IUPAC Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazolidin-3-ium-4-carboxamide Traditional Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazolidin-3-ium-4-carboxamide Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CSC[NH2+]3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)[C@H]3CSC[NH2+]3)OC1

InChI

InChI=1S/C13H16N2O3S/c16-13(10-7-19-8-14-10)15-9-2-3-11-12(6-9)18-5-1-4-17-11/h2-3,6,10,14H,1,4-5,7-8H2,(H,15,16)/p+1/t10-/m1/s1