methyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(thiophene-2-carbonylamino)benzoate CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(2-thenoylamino)benzoic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-20(2,3)21-11-14(23)12-27-16-8-7-13(10-15(16)19(25)26-4)22-18(24)17-6-5-9-28-17/h5-10,14,21,23H,11-12H2,1-4H3,(H,22,24)