methyl 3-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-4-methyl-benzoate

Systemtic Name: methyl 3-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-4-methyl-benzoate Openeye Name: methyl 3-[2-[(1,1-dioxothiolan-3-yl)amino]-1-methyl-2-oxo-ethoxy]-4-methyl-benzoate CAS Name: 3-[1-[(1,1-dioxo-3-thiolanyl)amino]-1-oxopropan-2-yl]oxy-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl]oxy-4-methylbenzoate Traditional Name: 3-[2-[(1,1-diketothiolan-3-yl)amino]-2-keto-1-methyl-ethoxy]-4-methyl-benzoic acid methyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)OC(C)C(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)OC(C)C(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C16H21NO6S/c1-10-4-5-12(16(19)22-3)8-14(10)23-11(2)15(18)17-13-6-7-24(20,21)9-13/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,18)