(4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid; sodium

Systemtic Name: (4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid; sodium Openeye Name: (4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid; sodium CAS Name: (4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid; sodium IUPAC Name: (4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid; sodium Traditional Name: (4S)-2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiazoline-4-carboxylic acid; sodium Formula: C13H12N2NaO3S2 MolecularWeight: 331.36575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C3=NC(CS3)C(=O)O.[Na]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C3=N[C@H](CS3)C(=O)O.[Na]

InChI

InChI=1S/C13H12N2O3S2.Na/c1-2-18-7-3-4-8-10(5-7)20-12(14-8)11-15-9(6-19-11)13(16)17;/h3-5,9H,2,6H2,1H3,(H,16,17);/t9-;/m1./s1