(4-methyl-8-oxidanylidene-6,7-dihydro-5H-naphthalen-1-yl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-methyl-8-oxidanylidene-6,7-dihydro-5H-naphthalen-1-yl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (8-methyl-4-oxo-tetralin-5-yl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-methyl-8-oxo-6,7-dihydro-5H-naphthalen-1-yl) ester IUPAC Name: (4-methyl-8-oxo-6,7-dihydro-5H-naphthalen-1-yl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-keto-8-methyl-tetralin-5-yl) ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCC(=O)C2=C(C=C1)OC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C2CCCC(=O)C2=C(C=C1)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO3S/c1-13-9-10-17(21-14(13)5-4-7-16(21)23)25-20(24)12-11-19-22-15-6-2-3-8-18(15)26-19/h2-3,6,8-10H,4-5,7,11-12H2,1H3