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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19N3O4S/c1-10(2)17-16(22)19-13(20)9-23-15(21)8-7-14-18-11-5-3-4-6-12(11)24-14/h3-6,10H,7-9H2,1-2H3,(H2,17,19,20,22)