2-[[6-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C17H17N5O5S2 MolecularWeight: 435.47738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C)C

InChI

InChI=1S/C17H17N5O5S2/c1-9-14(22(25)26)15(21(3)20-9)16(24)18-11-4-5-12-13(8-11)29-17(19-12)28-7-6-27-10(2)23/h4-5,8H,6-7H2,1-3H3,(H,18,24)