methyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC(=O)OC

InChI

InChI=1S/C18H14ClN3O5S/c1-10-3-6-14-15(7-10)28-18(21(14)9-16(23)27-2)20-17(24)12-8-11(22(25)26)4-5-13(12)19/h3-8H,9H2,1-2H3