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

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO3S/c24-19(17-9-5-7-15-6-1-2-8-16(15)17)14-26-22(25)13-12-21-23-18-10-3-4-11-20(18)27-21/h1-11H,12-14H2