dodecyl 3-[(3Z)-2,4-bis(oxidanylidene)-3-(sulfanylmethylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: dodecyl 3-[(3Z)-2,4-bis(oxidanylidene)-3-(sulfanylmethylidene)pyrrolidin-1-yl]benzoate Openeye Name: dodecyl 3-[(3Z)-2,4-dioxo-3-(sulfanylmethylene)pyrrolidin-1-yl]benzoate CAS Name: 3-[(3Z)-3-(mercaptomethylidene)-2,4-dioxo-1-pyrrolidinyl]benzoic acid dodecyl ester IUPAC Name: dodecyl 3-[(3Z)-2,4-dioxo-3-(sulfanylmethylidene)pyrrolidin-1-yl]benzoate Traditional Name: 3-[(3Z)-2,4-diketo-3-(mercaptomethylene)pyrrolidino]benzoic acid lauryl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2CC(=O)C(=CS)C2=O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2CC(=O)/C(=C/S)/C2=O

InChI

InChI=1S/C24H33NO4S/c1-2-3-4-5-6-7-8-9-10-11-15-29-24(28)19-13-12-14-20(16-19)25-17-22(26)21(18-30)23(25)27/h12-14,16,18,30H,2-11,15,17H2,1H3/b21-18-