4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]butyric acid Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CN(N=C3)CCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CN(N=C3)CCCC(=O)O)Cl

InChI

InChI=1S/C16H14ClN3O3S/c17-14-11-4-1-2-5-12(11)24-15(14)16(23)19-10-8-18-20(9-10)7-3-6-13(21)22/h1-2,4-5,8-9H,3,6-7H2,(H,19,23)(H,21,22)