dimethyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioate

Systemtic Name: dimethyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioate Openeye Name: dimethyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-ethylbutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethylbutanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-ethyl-succinic acid dimethyl ester Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OC)SC1=NC2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

CCC(C(C(=O)OC)SC1=NC2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C15H17NO4S2/c1-4-9(13(17)19-2)12(14(18)20-3)22-15-16-10-7-5-6-8-11(10)21-15/h5-9,12H,4H2,1-3H3