ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2-thienylsulfonylamino)acetate CAS Name: (2S)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-(thiophen-2-ylsulfonylamino)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2-thienylsulfonylamino)acetic acid ethyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H21N3O4S2/c1-4-26-19(23)18(21-28(24,25)16-11-8-12-27-16)17-13(2)20-22(14(17)3)15-9-6-5-7-10-15/h5-12,18,21H,4H2,1-3H3/t18-/m0/s1