[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-(N-[(3S)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-15(24)22-17-9-7-16(8-10-17)21(26)29-13-20(25)23(18-5-3-2-4-6-18)19-11-12-30(27,28)14-19/h2-10,19H,11-14H2,1H3,(H,22,24)/t19-/m0/s1