[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate Openeye Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic acid [2-(N-[(3S)-1,1-dioxo-3-thiolanyl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [2-(N-[(3S)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-15-8-9-19(27-2)18(12-15)21(24)28-13-20(23)22(16-6-4-3-5-7-16)17-10-11-29(25,26)14-17/h3-9,12,17H,10-11,13-14H2,1-2H3/t17-/m0/s1