methyl 7-[(5-carbamothioyl-1-benzofuran-2-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(5-carbamothioyl-1-benzofuran-2-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[(5-carbamothioylbenzofuran-2-carbonyl)amino]heptanoate CAS Name: 7-[[(5-carbamothioyl-2-benzofuranyl)-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(5-carbamothioyl-1-benzofuran-2-carbonyl)amino]heptanoate Traditional Name: 7-[(5-thiocarbamoylbenzofuran-2-carbonyl)amino]enanthic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=S)N

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=S)N

InChI

InChI=1S/C18H22N2O4S/c1-23-16(21)6-4-2-3-5-9-20-18(22)15-11-13-10-12(17(19)25)7-8-14(13)24-15/h7-8,10-11H,2-6,9H2,1H3,(H2,19,25)(H,20,22)