tert-butyl N-[(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitro-but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitro-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(Z,1S)-1-methyl-3-nitro-3-(p-tolylsulfanyl)allyl]carbamate CAS Name: N-[(Z,2S)-4-[(4-methylphenyl)thio]-4-nitrobut-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitrobut-3-en-2-yl]carbamate Traditional Name: N-[(Z,1S)-1-methyl-3-nitro-3-(p-tolylthio)allyl]carbamic acid tert-butyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=CC(C)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-11-6-8-13(9-7-11)23-14(18(20)21)10-12(2)17-15(19)22-16(3,4)5/h6-10,12H,1-5H3,(H,17,19)/b14-10-/t12-/m0/s1