[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C15H15NO3S2/c1-2-7-16-13(17)10-19-14(18)11-3-5-12(6-4-11)15-20-8-9-21-15/h1,3-6,15H,7-10H2,(H,16,17)