[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23N3O4S/c1-12(2)19-18(24)21-15(22)11-25-17(23)10-6-5-9-16-20-13-7-3-4-8-14(13)26-16/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,19,21,22,24)