methyl 3-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonylamino]propanoate Openeye Name: methyl 3-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)amino]propanoate CAS Name: 3-[[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)amino]propanoate Traditional Name: 3-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)NCCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C18H19NO4S/c1-22-13-5-6-14-11(9-13)3-4-12-10-15(24-17(12)14)18(21)19-8-7-16(20)23-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)