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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-2-18-17(23)20-14(21)11-24-16(22)10-6-5-9-15-19-12-7-3-4-8-13(12)25-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,18,20,21,23)