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

Systemtic Name: methyl 4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)butanoate Openeye Name: methyl 4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)butanoate CAS Name: 4-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)butanoate Traditional Name: 4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)butyric acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

InChI

InChI=1S/C18H19NO3S/c1-22-16(20)7-4-10-19-18(21)15-11-13-9-8-12-5-2-3-6-14(12)17(13)23-15/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,21)