1,3-benzothiazol-2-ylmethyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-4-27-17-11-7-5-9-15(17)21(25)24-20(14(2)3)22(26)28-13-19-23-16-10-6-8-12-18(16)29-19/h5-12,14,20H,4,13H2,1-3H3,(H,24,25)