propan-2-yl 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]propanoate

Systemtic Name: propan-2-yl 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]propanoate Openeye Name: isopropyl 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]propanoate CAS Name: 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]-2-pyrimidinyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]propanoate Traditional Name: 3-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]propionic acid isopropyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC(=O)CCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N5O2S/c1-12(2)26-17(25)8-10-22-19-21-9-7-14(24-19)13(11-20)18-23-15-5-3-4-6-16(15)27-18/h3-7,9,12-13H,8,10H2,1-2H3,(H,21,22,24)