2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(2-thenoylamino)benzoic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)C(=O)O)O

InChI

InChI=1S/C19H24N2O5S/c1-19(2,3)20-10-13(22)11-26-15-7-6-12(9-14(15)18(24)25)21-17(23)16-5-4-8-27-16/h4-9,13,20,22H,10-11H2,1-3H3,(H,21,23)(H,24,25)