2-diethylaminoethyl 2-[(4-acetyloxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 2-[(4-acetyloxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-[(4-acetoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-acetyloxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(4-acetyloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-acetoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C23H25N3O5S/c1-4-26(5-2)12-13-30-22(29)17-8-11-19-20(14-17)32-23(24-19)25-21(28)16-6-9-18(10-7-16)31-15(3)27/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,25,28)