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

Systemtic Name: 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazol-1-yl]butyrate Formula: C16H13ClN3O3S- MolecularWeight: 362.81072

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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)/p-1