methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(2-acetamidothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-(2-acetamido-4-thiazolyl)-2-hydroxyethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(2-acetamidothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CSC(=N2)NC(=O)C)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CSC(=N2)NC(=O)C)O

InChI

InChI=1S/C18H23N3O4S/c1-11(8-13-4-6-14(7-5-13)17(24)25-3)19-9-16(23)15-10-26-18(21-15)20-12(2)22/h4-7,10-11,16,19,23H,8-9H2,1-3H3,(H,20,21,22)