tert-butyl N-[2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamate

Systemtic Name: tert-butyl N-[2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbamate Openeye Name: tert-butyl N-[2-[(2-chloro-5-nitro-benzoyl)amino]-1,3-benzothiazol-6-yl]carbamate CAS Name: N-[2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]carbamate Traditional Name: N-[2-[(2-chloro-5-nitro-benzoyl)amino]-1,3-benzothiazol-6-yl]carbamic acid tert-butyl ester Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O5S/c1-19(2,3)29-18(26)21-10-4-7-14-15(8-10)30-17(22-14)23-16(25)12-9-11(24(27)28)5-6-13(12)20/h4-9H,1-3H3,(H,21,26)(H,22,23,25)