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

Systemtic Name: methyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(3-chlorobenzothiophene-2-carbonyl)amino]butanoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]butyric acid methyl ester Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C14H14ClNO3S/c1-19-11(17)7-4-8-16-14(18)13-12(15)9-5-2-3-6-10(9)20-13/h2-3,5-6H,4,7-8H2,1H3,(H,16,18)