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

Systemtic Name: ethyl 4-[3-azanyl-4-(2-benzamido-1,3-thiazol-4-yl)-4-oxidanyl-butyl]benzoate Openeye Name: ethyl 4-[3-amino-4-(2-benzamidothiazol-4-yl)-4-hydroxy-butyl]benzoate CAS Name: 4-[3-amino-4-(2-benzamido-4-thiazolyl)-4-hydroxybutyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-4-(2-benzamido-1,3-thiazol-4-yl)-4-hydroxybutyl]benzoate Traditional Name: 4-[3-amino-4-(2-benzamidothiazol-4-yl)-4-hydroxy-butyl]benzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(C(C2=CSC(=N2)NC(=O)C3=CC=CC=C3)O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(C(C2=CSC(=N2)NC(=O)C3=CC=CC=C3)O)N

InChI

InChI=1S/C23H25N3O4S/c1-2-30-22(29)17-11-8-15(9-12-17)10-13-18(24)20(27)19-14-31-23(25-19)26-21(28)16-6-4-3-5-7-16/h3-9,11-12,14,18,20,27H,2,10,13,24H2,1H3,(H,25,26,28)