ethyl 3-(2-methyl-1,3-benzothiazol-5-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-methyl-1,3-benzothiazol-5-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-methyl-1,3-benzothiazol-5-yl)-3-oxo-propanoate CAS Name: 3-(2-methyl-1,3-benzothiazol-5-yl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-methyl-1,3-benzothiazol-5-yl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-methyl-1,3-benzothiazol-5-yl)propionic acid ethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC2=C(C=C1)SC(=N2)C

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC2=C(C=C1)SC(=N2)C

InChI

InChI=1S/C13H13NO3S/c1-3-17-13(16)7-11(15)9-4-5-12-10(6-9)14-8(2)18-12/h4-6H,3,7H2,1-2H3