propan-2-yl 3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-14(2)28-19(26)12-17(15-6-4-3-5-7-15)23-18(25)8-10-24-13-22-20-16(21(24)27)9-11-29-20/h3-7,9,11,13-14,17H,8,10,12H2,1-2H3,(H,23,25)