5-[2-[3-(tert-butylamino)-2-oxidanyl-propyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[3-(tert-butylamino)-2-oxidanyl-propyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylic acid Openeye Name: 5-[2-[3-(tert-butylamino)-2-hydroxy-propyl]sulfanylthiazol-4-yl]thiophene-2-carboxylic acid CAS Name: 5-[2-[[3-(tert-butylamino)-2-hydroxypropyl]thio]-4-thiazolyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxylic acid Traditional Name: 5-[2-[[3-(tert-butylamino)-2-hydroxy-propyl]thio]thiazol-4-yl]-2-thenoic acid Formula: C15H20N2O3S3 MolecularWeight: 372.5259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)O)O

InChI

InChI=1S/C15H20N2O3S3/c1-15(2,3)16-6-9(18)7-21-14-17-10(8-22-14)11-4-5-12(23-11)13(19)20/h4-5,8-9,16,18H,6-7H2,1-3H3,(H,19,20)