methyl 4-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-methyl-pyrazol-1-yl]butanoate

Systemtic Name: methyl 4-[3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-methyl-pyrazol-1-yl]butanoate Openeye Name: methyl 4-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-methyl-pyrazol-1-yl]butanoate CAS Name: 4-[3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-methylpyrazol-1-yl]butanoate Traditional Name: 4-[3-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-methyl-pyrazol-1-yl]butyric acid methyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)OC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)OC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-11-10-14(21-22(11)9-5-8-15(23)25-2)20-18(24)17-16(19)12-6-3-4-7-13(12)26-17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,21,24)