[(2S)-1-[10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoyloxy]-3-oxidanyl-propan-2-yl] 12-(2-naphthalen-2-ylethanoylamino)dodecanoate

Systemtic Name: [(2S)-1-[10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoyloxy]-3-oxidanyl-propan-2-yl] 12-(2-naphthalen-2-ylethanoylamino)dodecanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[10-(4-methyl-2-oxo-chromen-7-yl)sulfanyldecanoyloxy]ethyl] 12-[[2-(2-naphthyl)acetyl]amino]dodecanoate CAS Name: 12-[[2-(2-naphthalenyl)-1-oxoethyl]amino]dodecanoic acid [(2S)-1-hydroxy-3-[10-[(4-methyl-2-oxo-1-benzopyran-7-yl)thio]-1-oxodecoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-[10-(4-methyl-2-oxochromen-7-yl)sulfanyldecanoyloxy]propan-2-yl] 12-[(2-naphthalen-2-ylacetyl)amino]dodecanoate Traditional Name: 12-[[2-(2-naphthyl)acetyl]amino]lauric acid [(1S)-2-hydroxy-1-[10-[(2-keto-4-methyl-chromen-7-yl)thio]decanoyloxymethyl]ethyl] ester Formula: C47H63NO8S MolecularWeight: 802.07002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCNC(=O)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCNC(=O)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C47H63NO8S/c1-36-30-47(53)56-43-33-41(26-27-42(36)43)57-29-19-13-9-5-7-10-14-22-45(51)54-35-40(34-49)55-46(52)23-15-11-6-3-2-4-8-12-18-28-48-44(50)32-37-24-25-38-20-16-17-21-39(38)31-37/h16-17,20-21,24-27,30-31,33,40,49H,2-15,18-19,22-23,28-29,32,34-35H2,1H3,(H,48,50)/t40-/m0/s1