[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H21N3O4S/c1-3-18-17(23)20-16(22)11(2)24-15(21)10-6-9-14-19-12-7-4-5-8-13(12)25-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,18,20,22,23)