naphthalen-1-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: naphthalen-1-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 1-naphthylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid 1-naphthylmethyl ester Formula: C22H19NO2S2 MolecularWeight: 393.52176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO2S2/c24-21(25-15-17-9-5-8-16-7-1-2-10-18(16)17)13-6-14-26-22-23-19-11-3-4-12-20(19)27-22/h1-5,7-12H,6,13-15H2