calcium O4-(1,3-benzothiazol-2-ylsulfanyl) O1-ethyl butanedioate

Systemtic Name: calcium O4-(1,3-benzothiazol-2-ylsulfanyl) O1-ethyl butanedioate Openeye Name: calcium O4-(1,3-benzothiazol-2-ylsulfanyl) O1-ethyl butanedioate CAS Name: calcium butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-ethyl ester IUPAC Name: calcium 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-ethyl butanedioate Traditional Name: calcium succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-ethyl ester Formula: C13H13CaNO4S2+2 MolecularWeight: 351.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1.[Ca+2]

Isomeric SMILES

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1.[Ca+2]

InChI

InChI=1S/C13H13NO4S2.Ca/c1-2-17-11(15)7-8-12(16)18-20-13-14-9-5-3-4-6-10(9)19-13;/h3-6H,2,7-8H2,1H3;/q;+2