methyl 2-[[6-[(4-acetamido-3-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(4-acetamido-3-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(4-acetamido-3-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(4-acetamido-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-acetamido-3-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(4-acetamido-3-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C19H16N4O6S2 MolecularWeight: 460.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6S2/c1-10(24)20-13-5-3-11(7-15(13)23(27)28)18(26)21-12-4-6-14-16(8-12)31-19(22-14)30-9-17(25)29-2/h3-8H,9H2,1-2H3,(H,20,24)(H,21,26)