tert-butyl 7-[2-(4-carbamothioylphenoxy)ethanoylamino]heptanoate

Systemtic Name: tert-butyl 7-[2-(4-carbamothioylphenoxy)ethanoylamino]heptanoate Openeye Name: tert-butyl 7-[[2-(4-carbamothioylphenoxy)acetyl]amino]heptanoate CAS Name: 7-[[2-(4-carbamothioylphenoxy)-1-oxoethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(4-carbamothioylphenoxy)acetyl]amino]heptanoate Traditional Name: 7-[[2-(4-thiocarbamoylphenoxy)acetyl]amino]enanthic acid tert-butyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)COC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)COC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)26-18(24)8-6-4-5-7-13-22-17(23)14-25-16-11-9-15(10-12-16)19(21)27/h9-12H,4-8,13-14H2,1-3H3,(H2,21,27)(H,22,23)