tert-butyl 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: tert-butyl 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: tert-butyl 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-5-thiazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-methyl-thiazole-5-carboxylic acid tert-butyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=NC3=CC=CC=C3S2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC(=N1)CC2=NC3=CC=CC=C3S2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H18N2O2S2/c1-10-15(16(20)21-17(2,3)4)23-13(18-10)9-14-19-11-7-5-6-8-12(11)22-14/h5-8H,9H2,1-4H3