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

Systemtic Name: ethyl 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-methyl-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate CAS Name: 5-[[[3-[butan-2-yloxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate Traditional Name: 1-methyl-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-5-12(3)29-21(27)17-13-9-7-8-10-16(13)30-19(17)22-18(25)15-11-14(23-24(15)4)20(26)28-6-2/h11-12H,5-10H2,1-4H3,(H,22,25)