ethyl 2-[(4-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-5-12-27-16-9-6-14(7-10-16)19(24)23-21-22-17-11-8-15(13-18(17)28-21)20(25)26-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,22,23,24)