(3-methyl-1,2-oxazol-5-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (3-methylisoxazol-5-yl)methyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C18H15NO3S/c1-11-8-14(22-19-11)10-21-18(20)16-9-13-7-6-12-4-2-3-5-15(12)17(13)23-16/h2-5,8-9H,6-7,10H2,1H3