ethyl 2-[[3-(heptadecylcarbamoyloxy)oxan-2-yl]-methoxycarbonyl-amino]-7-(1,3-thiazol-3-ium-3-yl)heptanoate

Systemtic Name: ethyl 2-[[3-(heptadecylcarbamoyloxy)oxan-2-yl]-methoxycarbonyl-amino]-7-(1,3-thiazol-3-ium-3-yl)heptanoate Openeye Name: ethyl 2-[[3-(heptadecylcarbamoyloxy)tetrahydropyran-2-yl]-methoxycarbonyl-amino]-7-thiazol-3-ium-3-yl-heptanoate CAS Name: 2-[[3-[(heptadecylamino)-oxomethoxy]-2-oxanyl]-methoxycarbonylamino]-7-(3-thiazol-3-iumyl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(heptadecylcarbamoyloxy)oxan-2-yl]-methoxycarbonylamino]-7-(1,3-thiazol-3-ium-3-yl)heptanoate Traditional Name: 2-[carbomethoxy-[3-(heptadecylcarbamoyloxy)tetrahydropyran-2-yl]amino]-7-thiazol-3-ium-3-yl-enanthic acid ethyl ester Formula: C37H66N3O7S+ MolecularWeight: 697.00084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1N(C(CCCCC[N+]2=CSC=C2)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OC1CCCOC1N(C(CCCCC[N+]2=CSC=C2)C(=O)OCC)C(=O)OC

InChI

InChI=1S/C37H65N3O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-38-36(42)47-33-25-23-29-46-34(33)40(37(43)44-3)32(35(41)45-5-2)24-20-19-22-27-39-28-30-48-31-39/h28,30-34H,4-27,29H2,1-3H3/p+1