methyl 2-[3-oxidanylidene-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]-1H-pyrazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]-1H-pyrazol-5-yl]ethanoate Openeye Name: methyl 2-[3-oxo-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]-1H-pyrazol-5-yl]acetate CAS Name: 2-[3-oxo-2-[4-[oxo-[2-(phenylthio)ethylamino]methyl]phenyl]-1H-pyrazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]-1H-pyrazol-5-yl]acetate Traditional Name: 2-[5-keto-1-[4-[2-(phenylthio)ethylcarbamoyl]phenyl]-3-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-28-20(26)14-16-13-19(25)24(23-16)17-9-7-15(8-10-17)21(27)22-11-12-29-18-5-3-2-4-6-18/h2-10,13,23H,11-12,14H2,1H3,(H,22,27)