[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-propyl-amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[(1,1-diketothiolan-3-yl)-propyl-amino]-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)C)N

Isomeric SMILES

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)C)N

InChI

InChI=1S/C17H24N2O5S/c1-3-8-19(13-7-9-25(22,23)11-13)15(20)10-24-17(21)14-6-4-5-12(2)16(14)18/h4-6,13H,3,7-11,18H2,1-2H3