methyl 2-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[(1,1-dioxothian-4-yl)amino]-3-methyl-pentanoate CAS Name: 2-[(1,1-dioxo-4-thianyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(1,1-dioxothian-4-yl)amino]-3-methylpentanoate Traditional Name: 2-[(1,1-diketothian-4-yl)amino]-3-methyl-valeric acid methyl ester Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC1CCS(=O)(=O)CC1

Isomeric SMILES

CCC(C)C(C(=O)OC)NC1CCS(=O)(=O)CC1

InChI

InChI=1S/C12H23NO4S/c1-4-9(2)11(12(14)17-3)13-10-5-7-18(15,16)8-6-10/h9-11,13H,4-8H2,1-3H3