dimethyl 2-[4-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate

Systemtic Name: dimethyl 2-[4-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate Openeye Name: dimethyl 2-[4-[[4-(4-cyanophenyl)thiazol-2-yl]amino]-1-piperidyl]butanedioate CAS Name: 2-[4-[[4-(4-cyanophenyl)-2-thiazolyl]amino]-1-piperidinyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate Traditional Name: 2-[4-[[4-(4-cyanophenyl)thiazol-2-yl]amino]piperidino]succinic acid dimethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CC(C(=O)OC)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O4S/c1-28-19(26)11-18(20(27)29-2)25-9-7-16(8-10-25)23-21-24-17(13-30-21)15-5-3-14(12-22)4-6-15/h3-6,13,16,18H,7-11H2,1-2H3,(H,23,24)