2-[[6-[(5-acetamido-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(5-acetamido-2-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(5-acetamido-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(5-acetamido-2-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(5-acetamido-2-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(5-acetamido-2-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6S2/c1-11(25)21-13-4-6-17(24(28)29)15(9-13)19(27)22-14-3-5-16-18(10-14)32-20(23-16)31-8-7-30-12(2)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H,22,27)