[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C20H21N3O4S/c1-14(18(25)21-10-7-15-5-3-2-4-6-15)27-17(24)8-11-23-13-22-19-16(20(23)26)9-12-28-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,21,25)