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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-sec-butyl-amino]-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-[butan-2-yl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[(1,1-diketothiolan-3-yl)-sec-butyl-amino]-2-keto-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)Cl)N

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=CC=C2)Cl)N

InChI

InChI=1S/C17H23ClN2O5S/c1-3-11(2)20(12-7-8-26(23,24)10-12)15(21)9-25-17(22)13-5-4-6-14(18)16(13)19/h4-6,11-12H,3,7-10,19H2,1-2H3