[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C14H16N2O4S2/c15-11(17)7-16-12(18)8-20-13(19)9-1-3-10(4-2-9)14-21-5-6-22-14/h1-4,14H,5-8H2,(H2,15,17)(H,16,18)