ethyl (6S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(1-ethyl-5-methyl-4-pyrazolyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)S(=O)(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)S(=O)(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OCC)C

InChI

InChI=1S/C18H25N3O4S2/c1-5-21-12(4)15(10-19-21)27(23,24)20-17-16(18(22)25-6-2)13-8-7-11(3)9-14(13)26-17/h10-11,20H,5-9H2,1-4H3/t11-/m0/s1