2-[[6-[2-(4-nitrophenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[2-(4-nitrophenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S2/c1-12(23)27-8-9-28-19-21-16-7-4-14(11-17(16)29-19)20-18(24)10-13-2-5-15(6-3-13)22(25)26/h2-7,11H,8-10H2,1H3,(H,20,24)