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

Systemtic Name: ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate CAS Name: 1-methyl-5-[oxo-[[3-[oxo(propoxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate Traditional Name: 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)OCC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)OCC

InChI

InChI=1S/C20H25N3O5S/c1-4-10-28-20(26)16-12-8-6-7-9-15(12)29-18(16)21-17(24)14-11-13(22-23(14)3)19(25)27-5-2/h11H,4-10H2,1-3H3,(H,21,24)