(phenylmethyl) (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-isothiocyanato-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-isothiocyanato-butanoate Openeye Name: benzyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-isothiocyanato-butanoate CAS Name: (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-isothiocyanatobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-isothiocyanatobutanoate Traditional Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-isothiocyanato-butyric acid benzyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](CN=C=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H24N2O4S/c30-26(32-16-19-8-2-1-3-9-19)14-20(15-28-18-34)29-27(31)33-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,20,25H,14-17H2,(H,29,31)/t20-/m0/s1