methyl (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiocyanato-butanoate

Systemtic Name: methyl (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiocyanato-butanoate Openeye Name: methyl (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiocyanato-butanoate CAS Name: (2R,3R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-thiocyanatobutanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiocyanatobutanoate Traditional Name: (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiocyanato-butyric acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SC#N

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SC#N

InChI

InChI=1S/C21H20N2O4S/c1-13(28-12-22)19(20(24)26-2)23-21(25)27-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11H2,1-2H3,(H,23,25)/t13-,19+/m1/s1