(4-methoxyphenyl)methyl 5-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-sulfanylidene-pentanoate

Systemtic Name: (4-methoxyphenyl)methyl 5-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-sulfanylidene-pentanoate Openeye Name: (4-methoxyphenyl)methyl 5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-thioxo-pentanoate CAS Name: 5-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-sulfanylidenepentanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-sulfanylidenepentanoate Traditional Name: 5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-thioxo-valeric acid p-anisyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C(CCC(=S)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C(CCC(=S)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H28N2O5S/c1-33-19-12-10-18(11-13-19)16-34-27(31)25(14-15-26(29)36)30-28(32)35-17-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-25H,14-17H2,1H3,(H2,29,36)(H,30,32)