methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-methylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C2=CC=CC=C2S1)CCC(=O)OC

Isomeric SMILES

CN=C1N(C2=CC=CC=C2S1)CCC(=O)OC

InChI

InChI=1S/C12H14N2O2S/c1-13-12-14(8-7-11(15)16-2)9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3