tert-butyl 4-[[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate

Systemtic Name: tert-butyl 4-[[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate Openeye Name: tert-butyl 4-[[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate CAS Name: 4-[[[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]amino]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate Traditional Name: 4-[(2-methylol-1,3-benzothiazol-5-yl)carbamoyl]benzoic acid tert-butyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO

InChI

InChI=1S/C20H20N2O4S/c1-20(2,3)26-19(25)13-6-4-12(5-7-13)18(24)21-14-8-9-16-15(10-14)22-17(11-23)27-16/h4-10,23H,11H2,1-3H3,(H,21,24)