N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)NC3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)NC3CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H22N2O3S/c1-12-4-6-16(7-5-12)20-13(2)10-17(14(20)3)18(21)19-15-8-9-24(22,23)11-15/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,21)