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

Systemtic Name: ethyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-5-methyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-5-methyl-4-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-5-methyl-pyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-21-11(3)13(10-19-21)16(22)20-17-15(18(23)24-5-2)12-8-6-7-9-14(12)25-17/h10H,4-9H2,1-3H3,(H,20,22)