4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-naphthalen-1-ylethanoate

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-naphthalen-1-ylethanoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester Formula: C23H17NO2S2 MolecularWeight: 403.51658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)OCC#CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)OCC#CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17NO2S2/c25-22(16-18-10-7-9-17-8-1-2-11-19(17)18)26-14-5-6-15-27-23-24-20-12-3-4-13-21(20)28-23/h1-4,7-13H,14-16H2