dodecyl 2-(10,12-dihydrobenzo[b][1,5]benzodithiocin-3-ylcarbonylamino)pentanoate

Systemtic Name: dodecyl 2-(10,12-dihydrobenzo[b][1,5]benzodithiocin-3-ylcarbonylamino)pentanoate Openeye Name: dodecyl 2-(10,12-dihydrobenzo[b][1,5]benzodithiocine-3-carbonylamino)pentanoate CAS Name: 2-[[10,12-dihydrobenzo[b][1,5]benzodithiocin-3-yl(oxo)methyl]amino]pentanoic acid dodecyl ester IUPAC Name: dodecyl 2-(10,12-dihydrobenzo[b][1,5]benzodithiocine-3-carbonylamino)pentanoate Traditional Name: 2-(10,12-dihydrobenzo[b][1,5]benzodithiocin-3-carbonylamino)valeric acid lauryl ester Formula: C32H45NO3S2 MolecularWeight: 555.8346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CCC)NC(=O)C1=CC2=C(CSCC3=CC=CC=C3S2)C=C1

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CCC)NC(=O)C1=CC2=C(CSCC3=CC=CC=C3S2)C=C1

InChI

InChI=1S/C32H45NO3S2/c1-3-5-6-7-8-9-10-11-12-15-21-36-32(35)28(16-4-2)33-31(34)25-19-20-27-24-37-23-26-17-13-14-18-29(26)38-30(27)22-25/h13-14,17-20,22,28H,3-12,15-16,21,23-24H2,1-2H3,(H,33,34)