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

Systemtic Name: methyl 2-[6-acetamido-2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2-chloro-5-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15ClN4O6S MolecularWeight: 462.8636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O6S/c1-10(25)21-11-3-6-15-16(7-11)31-19(23(15)9-17(26)30-2)22-18(27)13-8-12(24(28)29)4-5-14(13)20/h3-8H,9H2,1-2H3,(H,21,25)