1-azanyl-2-sulfosulfanyl-benzene; ethyl 5-(methylamino)pentanoate

Systemtic Name: 1-azanyl-2-sulfosulfanyl-benzene; ethyl 5-(methylamino)pentanoate Openeye Name: 1-amino-2-sulfosulfanyl-benzene; ethyl 5-(methylamino)pentanoate CAS Name: 1-amino-2-(sulfothio)benzene; 5-(methylamino)pentanoic acid ethyl ester IUPAC Name: 1-amino-2-sulfosulfanylbenzene; ethyl 5-(methylamino)pentanoate Traditional Name: 1-amino-2-(sulfothio)benzene; 5-(methylamino)valeric acid ethyl ester Formula: C14H24N2O5S2 MolecularWeight: 364.48076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O

Isomeric SMILES

CCOC(=O)CCCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O

InChI

InChI=1S/C8H17NO2.C6H7NO3S2/c1-3-11-8(10)6-4-5-7-9-2;7-5-3-1-2-4-6(5)11-12(8,9)10/h9H,3-7H2,1-2H3;1-4H,7H2,(H,8,9,10)