tert-butyl (E)-3-(butan-2-ylamino)-2-(phenoxycarbonylcarbamothioyl)but-2-enoate

Systemtic Name: tert-butyl (E)-3-(butan-2-ylamino)-2-(phenoxycarbonylcarbamothioyl)but-2-enoate Openeye Name: tert-butyl (E)-2-(phenoxycarbonylcarbamothioyl)-3-(sec-butylamino)but-2-enoate CAS Name: (E)-3-(butan-2-ylamino)-2-[[[oxo(phenoxy)methyl]amino]-sulfanylidenemethyl]-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(butan-2-ylamino)-2-(phenoxycarbonylcarbamothioyl)but-2-enoate Traditional Name: (E)-2-(carbophenoxythiocarbamoyl)-3-(sec-butylamino)but-2-enoic acid tert-butyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=C(C(=S)NC(=O)OC1=CC=CC=C1)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCC(C)N/C(=C(/C(=S)NC(=O)OC1=CC=CC=C1)\C(=O)OC(C)(C)C)/C

InChI

InChI=1S/C20H28N2O4S/c1-7-13(2)21-14(3)16(18(23)26-20(4,5)6)17(27)22-19(24)25-15-11-9-8-10-12-15/h8-13,21H,7H2,1-6H3,(H,22,24,27)/b16-14-