[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(N-(1,1-dioxo-3-thiolanyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(N-(1,1-diketothiolan-3-yl)anilino)-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C17H17ClN2O5S/c18-12-8-15(19-9-12)17(22)25-10-16(21)20(13-4-2-1-3-5-13)14-6-7-26(23,24)11-14/h1-5,8-9,14,19H,6-7,10-11H2