methyl 2-[5-chloranyl-4-methyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-4-methyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-chloro-4-methyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-chloro-4-methyl-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-methyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-chloro-4-methyl-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CC(=O)OC)Cl

InChI

InChI=1S/C16H12ClN3O6S/c1-8-9(17)3-5-11-14(8)19(7-13(21)25-2)16(27-11)18-15(22)10-4-6-12(26-10)20(23)24/h3-6H,7H2,1-2H3