2-diethylaminoethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 2-[(3,5-dinitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-3-24(4-2)7-8-33-20(28)13-5-6-17-18(11-13)34-21(22-17)23-19(27)14-9-15(25(29)30)12-16(10-14)26(31)32/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,22,23,27)