9H-fluoren-9-ylmethyl N-[(2S)-5-isothiocyanato-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-5-isothiocyanato-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-4-isothiocyanato-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]butyl]carbamate CAS Name: N-[(2S)-5-isothiocyanato-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-5-isothiocyanato-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-isothiocyanato-1-[(2-keto-4-methyl-chromen-7-yl)carbamoyl]butyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C31H27N3O5S MolecularWeight: 553.62818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C=S)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C=S)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H27N3O5S/c1-19-15-29(35)39-28-16-20(12-13-21(19)28)33-30(36)27(11-6-14-32-18-40)34-31(37)38-17-26-24-9-4-2-7-22(24)23-8-3-5-10-25(23)26/h2-5,7-10,12-13,15-16,26-27H,6,11,14,17H2,1H3,(H,33,36)(H,34,37)/t27-/m0/s1