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

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NN(C=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NN(C=C3Cl)C

InChI

InChI=1S/C18H20ClN3O5S/c1-3-26-17(24)14-10-6-4-5-7-12(10)28-16(14)20-13(23)9-27-18(25)15-11(19)8-22(2)21-15/h8H,3-7,9H2,1-2H3,(H,20,23)