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

Systemtic Name: ethyl 4-[3-azanyl-4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-oxidanyl-butyl]benzoate Openeye Name: ethyl 4-[3-amino-4-(2-amino-4-methyl-thiazol-5-yl)-4-hydroxy-butyl]benzoate CAS Name: 4-[3-amino-4-(2-amino-4-methyl-5-thiazolyl)-4-hydroxybutyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-hydroxybutyl]benzoate Traditional Name: 4-[3-amino-4-(2-amino-4-methyl-thiazol-5-yl)-4-hydroxy-butyl]benzoic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/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)