methyl (Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-bis(phenoxycarbothioylamino)pent-4-enoate

Systemtic Name: methyl (Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-bis(phenoxycarbothioylamino)pent-4-enoate Openeye Name: methyl (Z,2S)-2-(tert-butoxycarbonylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoate CAS Name: (Z,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4,5-bis[[phenoxy(sulfanylidene)methyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-bis(phenoxycarbothioylamino)pent-4-enoate Traditional Name: (Z,2S)-2-(tert-butoxycarbonylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoic acid methyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=CNC(=S)OC1=CC=CC=C1)NC(=S)OC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C/C(=C/NC(=S)OC1=CC=CC=C1)/NC(=S)OC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H29N3O6S2/c1-25(2,3)34-22(30)28-20(21(29)31-4)15-17(27-24(36)33-19-13-9-6-10-14-19)16-26-23(35)32-18-11-7-5-8-12-18/h5-14,16,20H,15H2,1-4H3,(H,26,35)(H,27,36)(H,28,30)/b17-16-/t20-/m0/s1