[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl] ester Formula: C21H27ClN2O4S MolecularWeight: 438.96808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27ClN2O4S/c1-24(11-16-2-3-17(22)29-16)18(25)12-28-19(26)10-23-20(27)21-7-13-4-14(8-21)6-15(5-13)9-21/h2-3,13-15H,4-12H2,1H3,(H,23,27)