(2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3C[C@@H](C[NH2+]3)O

InChI

InChI=1S/C14H17N3O3S/c1-2-20-9-3-4-10-12(6-9)21-14(16-10)17-13(19)11-5-8(18)7-15-11/h3-4,6,8,11,15,18H,2,5,7H2,1H3,(H,16,17,19)/p+1/t8-,11+/m0/s1