ethyl 2-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]acetate CAS Name: 2-[3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrazol-1-yl]acetate Traditional Name: 2-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid ethyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC(=N1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)CN1C=CC(=N1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-2-23-13(21)9-20-8-7-12(19-20)18-16(22)15-14(17)10-5-3-4-6-11(10)24-15/h3-8H,2,9H2,1H3,(H,18,19,22)