[[7-cyano-7-phenyl-7-(1,3-thiazol-2-yl)heptanoyl]amino] propanoate

Systemtic Name: [[7-cyano-7-phenyl-7-(1,3-thiazol-2-yl)heptanoyl]amino] propanoate Openeye Name: [(7-cyano-7-phenyl-7-thiazol-2-yl-heptanoyl)amino] propanoate CAS Name: propanoic acid [[7-cyano-1-oxo-7-phenyl-7-(2-thiazolyl)heptyl]amino] ester IUPAC Name: [[7-cyano-7-phenyl-7-(1,3-thiazol-2-yl)heptanoyl]amino] propanoate Traditional Name: propionic acid [(7-cyano-7-phenyl-7-thiazol-2-yl-heptanoyl)amino] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ONC(=O)CCCCCC(C#N)(C1=CC=CC=C1)C2=NC=CS2

Isomeric SMILES

CCC(=O)ONC(=O)CCCCCC(C#N)(C1=CC=CC=C1)C2=NC=CS2

InChI

InChI=1S/C20H23N3O3S/c1-2-18(25)26-23-17(24)11-7-4-8-12-20(15-21,19-22-13-14-27-19)16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,23,24)