3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; N-butylmethanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; N-butylmethanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; N-butylformamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoate; N-butylformamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate; N-butylformamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionate; N-butylformamide Formula: C15H19N2O3S2- MolecularWeight: 339.45296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=O.C1=CC=C2C(=C1)N=C(S2)SCCC(=O)[O-]

Isomeric SMILES

CCCCNC=O.C1=CC=C2C(=C1)N=C(S2)SCCC(=O)[O-]

InChI

InChI=1S/C10H9NO2S2.C5H11NO/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10;1-2-3-4-6-5-7/h1-4H,5-6H2,(H,12,13);5H,2-4H2,1H3,(H,6,7)/p-1