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

Systemtic Name: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-4-26-18(24)13-10-12(21-22(13)3)16(23)20-17-15(19(25)27-5-2)11-8-6-7-9-14(11)28-17/h10H,4-9H2,1-3H3,(H,20,23)