methyl 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]-1,3-thiazol-5-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]-1,3-thiazol-5-yl]methyl]benzoate Openeye Name: methyl 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]thiazol-5-yl]methyl]benzoate CAS Name: 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]-5-thiazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]-1,3-thiazol-5-yl]methyl]benzoate Traditional Name: 4-[[2-acetamido-4-[2-(4-aminophenyl)ethyl]thiazol-5-yl]methyl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)CC2=CC=C(C=C2)C(=O)OC)CCC3=CC=C(C=C3)N

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)CC2=CC=C(C=C2)C(=O)OC)CCC3=CC=C(C=C3)N

InChI

InChI=1S/C22H23N3O3S/c1-14(26)24-22-25-19(12-7-15-5-10-18(23)11-6-15)20(29-22)13-16-3-8-17(9-4-16)21(27)28-2/h3-6,8-11H,7,12-13,23H2,1-2H3,(H,24,25,26)