[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C20H20ClN3O3S/c1-3-23(12-17-8-9-18(21)28-17)19(25)13-27-20(26)15-4-6-16(7-5-15)24-14(2)10-11-22-24/h4-11H,3,12-13H2,1-2H3