ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H18N4O3S/c1-3-24-17(23)13-8-12(20-21(13)2)15(22)19-16-11(9-18)10-6-4-5-7-14(10)25-16/h8H,3-7H2,1-2H3,(H,19,22)