methyl 4-[1-(2-acetamido-1,3-thiazol-4-yl)-2-azanyl-3-methyl-1-oxidanyl-butyl]benzoate hydrochloride

Systemtic Name: methyl 4-[1-(2-acetamido-1,3-thiazol-4-yl)-2-azanyl-3-methyl-1-oxidanyl-butyl]benzoate hydrochloride Openeye Name: methyl 4-[1-(2-acetamidothiazol-4-yl)-2-amino-1-hydroxy-3-methyl-butyl]benzoate hydrochloride CAS Name: 4-[1-(2-acetamido-4-thiazolyl)-2-amino-1-hydroxy-3-methylbutyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[1-(2-acetamido-1,3-thiazol-4-yl)-2-amino-1-hydroxy-3-methylbutyl]benzoate hydrochloride Traditional Name: 4-[1-(2-acetamidothiazol-4-yl)-2-amino-1-hydroxy-3-methyl-butyl]benzoic acid methyl ester hydrochloride Formula: C18H24ClN3O4S MolecularWeight: 413.91886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=C(C=C1)C(=O)OC)(C2=CSC(=N2)NC(=O)C)O)N.Cl

Isomeric SMILES

CC(C)C(C(C1=CC=C(C=C1)C(=O)OC)(C2=CSC(=N2)NC(=O)C)O)N.Cl

InChI

InChI=1S/C18H23N3O4S.ClH/c1-10(2)15(19)18(24,14-9-26-17(21-14)20-11(3)22)13-7-5-12(6-8-13)16(23)25-4;/h5-10,15,24H,19H2,1-4H3,(H,20,21,22);1H