(4-pyrazol-1-ylphenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c22-19-16-4-1-2-5-17(16)29-20(19)21(27)23-12-18(26)28-13-14-6-8-15(9-7-14)25-11-3-10-24-25/h1-11H,12-13H2,(H,23,27)