9H-fluoren-9-ylmethyl N-[(Z,3S)-5-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-hex-1-en-3-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(Z,3S)-5-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-hex-1-en-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-3-methyl-1-[(Z)-2-nitro-2-(p-tolylsulfanyl)vinyl]butyl]carbamate CAS Name: N-[(Z,3S)-5-methyl-1-[(4-methylphenyl)thio]-1-nitrohex-1-en-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(Z,3S)-5-methyl-1-(4-methylphenyl)sulfanyl-1-nitrohex-1-en-3-yl]carbamate Traditional Name: N-[(Z,1S)-1-isobutyl-3-nitro-3-(p-tolylthio)allyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=CC(CC(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C\[C@H](CC(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)/[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O4S/c1-19(2)16-21(17-28(31(33)34)36-22-14-12-20(3)13-15-22)30-29(32)35-18-27-25-10-6-4-8-23(25)24-9-5-7-11-26(24)27/h4-15,17,19,21,27H,16,18H2,1-3H3,(H,30,32)/b28-17-/t21-/m0/s1