[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-11(2)20-15(7-8-18-20)19-16(21)9-23-17(22)13-10-24-14-6-4-3-5-12(13)14/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21)