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

Systemtic Name: ethyl 2-[(3,5-diethoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-diethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-26-15-9-14(10-16(12-15)27-5-2)19(24)23-21-22-17-8-7-13(11-18(17)29-21)20(25)28-6-3/h7-12H,4-6H2,1-3H3,(H,22,23,24)