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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-phenethylbenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [1-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c1-17(22(25)24(2)20-14-15-30(27,28)16-20)29-23(26)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3