butyl 2-[(3-ethoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)OCC

InChI

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