methyl 2-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)-4-methyl-pentanoate CAS Name: 2-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-4-methylpentanoate Traditional Name: 2-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)-4-methyl-valeric acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

InChI

InChI=1S/C20H23NO3S/c1-12(2)10-16(20(23)24-3)21-19(22)17-11-14-9-8-13-6-4-5-7-15(13)18(14)25-17/h4-7,11-12,16H,8-10H2,1-3H3,(H,21,22)