methyl 4-[2-[[4-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[[4-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[[4-methyl-5-(pyrrolidin-1-ylmethyl)-2-furyl]methylsulfanyl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[[4-methyl-5-(1-pyrrolidinylmethyl)-2-furanyl]methylthio]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[4-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[[4-methyl-5-(pyrrolidinomethyl)-2-furyl]methylthio]ethylcarbamoyl]benzoic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSCCNC(=O)C2=CC=C(C=C2)C(=O)OC)CN3CCCC3

Isomeric SMILES

CC1=C(OC(=C1)CSCCNC(=O)C2=CC=C(C=C2)C(=O)OC)CN3CCCC3

InChI

InChI=1S/C22H28N2O4S/c1-16-13-19(28-20(16)14-24-10-3-4-11-24)15-29-12-9-23-21(25)17-5-7-18(8-6-17)22(26)27-2/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,23,25)