naphthalen-1-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: naphthalen-1-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: 1-naphthylmethyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid 1-naphthylmethyl ester Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO2S/c23-21(13-12-20-22-18-10-3-4-11-19(18)25-20)24-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2