5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoylamino]-3-heptoxy-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoylamino]-3-heptoxy-1,2-thiazole-4-carboxylic acid Openeye Name: 3-heptoxy-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-heptoxy-5-[[[(3-hydroxy-2,2-dimethylpropyl)amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-heptoxy-5-[(3-hydroxy-2,2-dimethylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-heptoxy-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C17H29N3O5S MolecularWeight: 387.49426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCC(C)(C)CO

Isomeric SMILES

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCC(C)(C)CO

InChI

InChI=1S/C17H29N3O5S/c1-4-5-6-7-8-9-25-13-12(15(22)23)14(26-20-13)19-16(24)18-10-17(2,3)11-21/h21H,4-11H2,1-3H3,(H,22,23)(H2,18,19,24)