3-[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]propanoic acid; 1-diethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane

Systemtic Name: 3-[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]propanoic acid; 1-diethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane Openeye Name: 3-[(2-amino-3,4-dioxo-cyclobuten-1-yl)amino]propanoic acid; 1-diethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane CAS Name: 3-[(2-amino-3,4-dioxo-1-cyclobutenyl)amino]propanoic acid; 1-(diethoxyphosphorylthio)-2-(ethylthio)ethane IUPAC Name: 3-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]propanoic acid; 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane Traditional Name: 3-[(2-amino-3,4-diketo-cyclobuten-1-yl)amino]propionic acid; 1-(diethoxyphosphorylthio)-2-(ethylthio)ethane Formula: C15H27N2O7PS2 MolecularWeight: 442.487841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)SCCSCC.C(CNC1=C(C(=O)C1=O)N)C(=O)O

Isomeric SMILES

CCOP(=O)(OCC)SCCSCC.C(CNC1=C(C(=O)C1=O)N)C(=O)O

InChI

InChI=1S/C8H19O3PS2.C7H8N2O4/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;8-4-5(7(13)6(4)12)9-2-1-3(10)11/h4-8H2,1-3H3;9H,1-2,8H2,(H,10,11)