ethyl 2-[2-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[2-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[1-(tert-butoxycarbonylamino)-2-ethoxy-2-oxo-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropanecarboxylate CAS Name: 2-[[[anilino(sulfanylidene)methyl]amino]methyl]-3-[2-ethoxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxoethyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylate Traditional Name: 2-[1-(tert-butoxycarbonylamino)-2-ethoxy-2-keto-ethyl]-3-[(phenylthiocarbamoylamino)methyl]cyclopropanecarboxylic acid ethyl ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C1C(C(=O)OCC)NC(=O)OC(C)(C)C)CNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(C1C(C(=O)OCC)NC(=O)OC(C)(C)C)CNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C23H33N3O6S/c1-6-30-19(27)17-15(13-24-21(33)25-14-11-9-8-10-12-14)16(17)18(20(28)31-7-2)26-22(29)32-23(3,4)5/h8-12,15-18H,6-7,13H2,1-5H3,(H,26,29)(H2,24,25,33)