2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate; diethylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-sulfanylidene-butanoate; diethylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butanoate; diethylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate; diethylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate; diethylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butyrate; diethylammonium Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.CC[NH2+]CC.C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH2+]CC.CC[NH2+]CC.C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9NO3S2.2C4H11N/c13-9(16)5-6(11(14)15)10-12-7-3-1-2-4-8(7)17-10;2*1-3-5-4-2/h1-4,6H,5H2,(H,13,16)(H,14,15);2*5H,3-4H2,1-2H3