ethyl N-[(4S)-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxidanylidene-non-8-en-4-yl]carbamate

Systemtic Name: ethyl N-[(4S)-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxidanylidene-non-8-en-4-yl]carbamate Openeye Name: ethyl N-[(1S)-1-isobutyl-2-oxo-3-(p-tolylsulfonyl)hex-5-enyl]carbamate CAS Name: N-[(4S)-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxonon-8-en-4-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(4S)-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxonon-8-en-4-yl]carbamate Traditional Name: N-[(1S)-1-isobutyl-2-keto-3-tosyl-hex-5-enyl]carbamic acid ethyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(C)C)C(=O)C(CC=C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)N[C@@H](CC(C)C)C(=O)C(CC=C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H29NO5S/c1-6-8-18(27(24,25)16-11-9-15(5)10-12-16)19(22)17(13-14(3)4)21-20(23)26-7-2/h6,9-12,14,17-18H,1,7-8,13H2,2-5H3,(H,21,23)/t17-,18?/m0/s1