S-[(3S)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[(3S)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] ethanethioate Openeye Name: S-[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: S-[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3S)-1-(2,6-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl] ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)SC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C[C@@H](C2=O)SC(=O)C

InChI

InChI=1S/C14H15NO3S/c1-8-5-4-6-9(2)13(8)15-12(17)7-11(14(15)18)19-10(3)16/h4-6,11H,7H2,1-3H3/t11-/m0/s1