ethyl 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O5S2/c1-4-26-17(23)16-10(3)19-9(2)15(16)13(22)8-27-18-20-12-6-5-11(21(24)25)7-14(12)28-18/h5-7,19H,4,8H2,1-3H3