9H-fluoren-9-ylmethyl N-[(2S)-1-azanyl-5-isothiocyanato-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-azanyl-5-isothiocyanato-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-carbamoyl-4-isothiocyanato-butyl]carbamate CAS Name: N-[(2S)-1-amino-5-isothiocyanato-1-oxopentan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-amino-5-isothiocyanato-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-carbamoyl-4-isothiocyanato-butyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCN=C=S)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN=C=S)C(=O)N

InChI

InChI=1S/C21H21N3O3S/c22-20(25)19(10-5-11-23-13-28)24-21(26)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-12H2,(H2,22,25)(H,24,26)/t19-/m0/s1