methyl 7-[(5-cyano-1-benzothiophen-2-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(5-cyano-1-benzothiophen-2-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[(5-cyanobenzothiophene-2-carbonyl)amino]heptanoate CAS Name: 7-[[(5-cyano-1-benzothiophen-2-yl)-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(5-cyano-1-benzothiophene-2-carbonyl)amino]heptanoate Traditional Name: 7-[(5-cyanobenzothiophene-2-carbonyl)amino]enanthic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)C#N

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)C#N

InChI

InChI=1S/C18H20N2O3S/c1-23-17(21)6-4-2-3-5-9-20-18(22)16-11-14-10-13(12-19)7-8-15(14)24-16/h7-8,10-11H,2-6,9H2,1H3,(H,20,22)