1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-4-tetralin-6-yl-butanoate CAS Name: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: 4-keto-4-tetralin-6-yl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21NO3S/c24-19(17-10-9-15-5-1-2-6-16(15)13-17)11-12-22(25)26-14-21-23-18-7-3-4-8-20(18)27-21/h3-4,7-10,13H,1-2,5-6,11-12,14H2