3-[5-[(4-chlorophenyl)methylcarbamoyl]-7-ethyl-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]prop-2-ynyl morpholine-4-carboxylate

Systemtic Name: 3-[5-[(4-chlorophenyl)methylcarbamoyl]-7-ethyl-4-oxidanylidene-thieno[2,3-b]pyridin-2-yl]prop-2-ynyl morpholine-4-carboxylate Openeye Name: 3-[5-[(4-chlorophenyl)methylcarbamoyl]-7-ethyl-4-oxo-thieno[2,3-b]pyridin-2-yl]prop-2-ynyl morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid 3-[5-[[(4-chlorophenyl)methylamino]-oxomethyl]-7-ethyl-4-oxo-2-thieno[2,3-b]pyridinyl]prop-2-ynyl ester IUPAC Name: 3-[5-[(4-chlorophenyl)methylcarbamoyl]-7-ethyl-4-oxothieno[2,3-b]pyridin-2-yl]prop-2-ynyl morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid 3-[5-[(4-chlorobenzyl)carbamoyl]-7-ethyl-4-keto-thieno[2,3-b]pyridin-2-yl]prop-2-ynyl ester Formula: C25H24ClN3O5S MolecularWeight: 513.99316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1SC(=C2)C#CCOC(=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=C1SC(=C2)C#CCOC(=O)N3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O5S/c1-2-28-16-21(23(31)27-15-17-5-7-18(26)8-6-17)22(30)20-14-19(35-24(20)28)4-3-11-34-25(32)29-9-12-33-13-10-29/h5-8,14,16H,2,9-13,15H2,1H3,(H,27,31)