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

Systemtic Name: (4-methoxyphenyl)methyl 4-azanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidene-butanoate Openeye Name: (4-methoxyphenyl)methyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thioxo-butanoate CAS Name: 4-amino-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-sulfanylidenebutanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidenebutanoate Traditional Name: 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thioxo-butyric acid p-anisyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5S/c1-32-18-12-10-17(11-13-18)15-33-26(30)24(14-25(28)35)29-27(31)34-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H2,28,35)(H,29,31)