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

Systemtic Name: methyl 2-[6-acetamido-2-(5-chloranyl-2-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(5-chloro-2-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(5-chloro-2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(5-chloro-2-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)Cl)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

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

InChI

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