tert-butyl 7-[(5-carbamothioyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[(5-carbamothioyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(5-carbamothioyl-2,3-dihydrobenzofuran-2-carbonyl)amino]heptanoate CAS Name: 7-[[(5-carbamothioyl-2,3-dihydrobenzofuran-2-yl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-carbamothioyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]heptanoate Traditional Name: 7-[(5-thiocarbamoylcoumaran-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1CC2=C(O1)C=CC(=C2)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1CC2=C(O1)C=CC(=C2)C(=S)N

InChI

InChI=1S/C21H30N2O4S/c1-21(2,3)27-18(24)8-6-4-5-7-11-23-20(25)17-13-15-12-14(19(22)28)9-10-16(15)26-17/h9-10,12,17H,4-8,11,13H2,1-3H3,(H2,22,28)(H,23,25)