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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C

InChI

InChI=1S/C20H25N3O5S/c1-5-27-19(25)13-10-14(23(4)22-13)17(24)21-18-16(20(26)28-11(2)3)12-8-6-7-9-15(12)29-18/h10-11H,5-9H2,1-4H3,(H,21,24)