methyl 5-[2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)NC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)NC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C21H22N4O5S2/c1-13-19(20(28)25(24(13)2)14-7-5-4-6-8-14)23-17(27)12-31-11-16(26)22-18-10-9-15(32-18)21(29)30-3/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,27)