ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

InChI

InChI=1S/C19H25N3O3S/c1-5-22-12(4)15(11(3)21-22)17(23)20-18-16(19(24)25-6-2)13-9-7-8-10-14(13)26-18/h5-10H2,1-4H3,(H,20,23)