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

Systemtic Name: 2-diethylaminoethyl 2-[(2,4-dichlorophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-[(2,4-dichlorobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(2,4-dichlorobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C21H21Cl2N3O3S MolecularWeight: 466.38074

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O3S/c1-3-26(4-2)9-10-29-20(28)13-5-8-17-18(11-13)30-21(24-17)25-19(27)15-7-6-14(22)12-16(15)23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25,27)