[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[cyclopentyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[cyclopentyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C19H25ClN2O6S MolecularWeight: 444.9296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3)Cl)N

InChI

InChI=1S/C19H25ClN2O6S/c1-27-17-9-16(21)15(20)8-14(17)19(24)28-10-18(23)22(12-4-2-3-5-12)13-6-7-29(25,26)11-13/h8-9,12-13H,2-7,10-11,21H2,1H3