methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-ethyl-3-[(2-methoxyethylamino)-oxomethyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C19H25N5O4S2/c1-4-24-10-12(15(23-24)16(25)20-8-9-27-2)21-19(29)22-17-14(18(26)28-3)11-6-5-7-13(11)30-17/h10H,4-9H2,1-3H3,(H,20,25)(H2,21,22,29)