2-methylsulfonylethyl N-[1-[(3aS,6aR)-6-oxidanylidene-3a,6a-dihydro-3H-pentalen-1-yl]ethenyl]-N-(phenylmethyl)carbamate

Systemtic Name: 2-methylsulfonylethyl N-[1-[(3aS,6aR)-6-oxidanylidene-3a,6a-dihydro-3H-pentalen-1-yl]ethenyl]-N-(phenylmethyl)carbamate Openeye Name: 2-methylsulfonylethyl N-[1-[(3aS,6aR)-6-oxo-3a,6a-dihydro-3H-pentalen-1-yl]vinyl]-N-benzyl-carbamate CAS Name: N-[1-[(3aS,6aR)-6-oxo-3a,6a-dihydro-3H-pentalen-1-yl]ethenyl]-N-(phenylmethyl)carbamic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl N-[1-[(3aS,6aR)-6-oxo-3a,6a-dihydro-3H-pentalen-1-yl]ethenyl]-N-benzylcarbamate Traditional Name: N-[1-[(3aS,6aR)-6-keto-3a,6a-dihydro-3H-pentalen-1-yl]vinyl]-N-benzyl-carbamic acid 2-mesylethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)N(CC1=CC=CC=C1)C(=C)C2=CCC3C2C(=O)C=C3

Isomeric SMILES

CS(=O)(=O)CCOC(=O)N(CC1=CC=CC=C1)C(=C)C2=CC[C@@H]3[C@H]2C(=O)C=C3

InChI

InChI=1S/C21H23NO5S/c1-15(18-10-8-17-9-11-19(23)20(17)18)22(14-16-6-4-3-5-7-16)21(24)27-12-13-28(2,25)26/h3-7,9-11,17,20H,1,8,12-14H2,2H3/t17-,20+/m0/s1