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

Systemtic Name: propan-2-yl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-chloro-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-chloro-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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