methyl 4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)dodecanoate

Systemtic Name: methyl 4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)dodecanoate Openeye Name: methyl 4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)dodecanoate CAS Name: 4-[[ethoxy(sulfanylidene)methyl]thio]-2-(methoxycarbonylamino)dodecanoic acid methyl ester IUPAC Name: methyl 4-ethoxycarbothioylsulfanyl-2-(methoxycarbonylamino)dodecanoate Traditional Name: 2-(carbomethoxyamino)-4-(ethoxycarbothioylthio)lauric acid methyl ester Formula: C18H33NO5S2 MolecularWeight: 407.58832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C(=O)OC)NC(=O)OC)SC(=S)OCC

Isomeric SMILES

CCCCCCCCC(CC(C(=O)OC)NC(=O)OC)SC(=S)OCC

InChI

InChI=1S/C18H33NO5S2/c1-5-7-8-9-10-11-12-14(26-18(25)24-6-2)13-15(16(20)22-3)19-17(21)23-4/h14-15H,5-13H2,1-4H3,(H,19,21)