[2-[[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCS(=O)(=O)C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@]2(CCS(=O)(=O)C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O7S/c1-10-3-4-11(7-12(10)17(20)21)14(19)24-8-13(18)16-15(2)5-6-25(22,23)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)/t15-/m0/s1