propan-2-yl 2-[(3,5-diethoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(3,5-diethoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C)OCC

InChI

InChI=1S/C22H24N2O5S/c1-5-27-16-9-15(10-17(12-16)28-6-2)20(25)24-22-23-18-8-7-14(11-19(18)30-22)21(26)29-13(3)4/h7-13H,5-6H2,1-4H3,(H,23,24,25)