propan-2-yl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(2-chloro-4-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-chloro-4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5S/c1-9(2)27-17(24)10-3-6-14-15(7-10)28-18(20-14)21-16(23)12-5-4-11(22(25)26)8-13(12)19/h3-9H,1-2H3,(H,20,21,23)