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

Systemtic Name: 2-diethylaminoethyl 2-[(4-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-3-24(4-2)11-12-30-20(27)15-7-10-17-18(13-15)31-21(22-17)23-19(26)14-5-8-16(9-6-14)25(28)29/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,26)