O1-ethyl O3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl] propanedioate

Systemtic Name: O1-ethyl O3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl] propanedioate Openeye Name: O1-ethyl O3-[(2-thioxo-1,3-benzothiazol-3-yl)methyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[(2-thioxo-1,3-benzothiazol-3-yl)methyl] ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OCN1C2=CC=CC=C2SC1=S

Isomeric SMILES

CCOC(=O)CC(=O)OCN1C2=CC=CC=C2SC1=S

InChI

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