methyl 3-benzo[e][1,3]benzothiazol-2-ylpropanoate

Systemtic Name: methyl 3-benzo[e][1,3]benzothiazol-2-ylpropanoate Openeye Name: methyl 3-benzo[e][1,3]benzothiazol-2-ylpropanoate CAS Name: 3-(2-benzo[e][1,3]benzothiazolyl)propanoic acid methyl ester IUPAC Name: methyl 3-benzo[e][1,3]benzothiazol-2-ylpropanoate Traditional Name: 3-benzo[e][1,3]benzothiazol-2-ylpropionic acid methyl ester Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(S1)C=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)CCC1=NC2=C(S1)C=CC3=CC=CC=C32

InChI

InChI=1S/C15H13NO2S/c1-18-14(17)9-8-13-16-15-11-5-3-2-4-10(11)6-7-12(15)19-13/h2-7H,8-9H2,1H3