ethyl 4-[3-azanyl-4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-oxidanyl-butyl]benzoate dihydrochloride

Systemtic Name: ethyl 4-[3-azanyl-4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-oxidanyl-butyl]benzoate dihydrochloride Openeye Name: ethyl 4-[3-amino-4-(2-amino-4-methyl-thiazol-5-yl)-4-hydroxy-butyl]benzoate dihydrochloride CAS Name: 4-[3-amino-4-(2-amino-4-methyl-5-thiazolyl)-4-hydroxybutyl]benzoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[3-amino-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-hydroxybutyl]benzoate dihydrochloride Traditional Name: 4-[3-amino-4-(2-amino-4-methyl-thiazol-5-yl)-4-hydroxy-butyl]benzoic acid ethyl ester dihydrochloride Formula: C17H25Cl2N3O3S MolecularWeight: 422.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(C(C2=C(N=C(S2)N)C)O)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(C(C2=C(N=C(S2)N)C)O)N.Cl.Cl

InChI

InChI=1S/C17H23N3O3S.2ClH/c1-3-23-16(22)12-7-4-11(5-8-12)6-9-13(18)14(21)15-10(2)20-17(19)24-15;;/h4-5,7-8,13-14,21H,3,6,9,18H2,1-2H3,(H2,19,20);2*1H