[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H18N2O5S2/c1-2-22-15(21)18-13(19)10-23-14(20)8-5-9-24-16-17-11-6-3-4-7-12(11)25-16/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19,21)