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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-(N-(1,1-dioxo-3-thiolanyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-(N-(1,1-diketothiolan-3-yl)anilino)-2-keto-ethyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C19H19ClN2O5S/c20-16-8-4-7-15(18(16)21)19(24)27-11-17(23)22(13-5-2-1-3-6-13)14-9-10-28(25,26)12-14/h1-8,14H,9-12,21H2