[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H18N2O3S2/c21-16(19-11-13-5-4-10-24-13)12-23-18(22)9-3-8-17-20-14-6-1-2-7-15(14)25-17/h1-2,4-7,10H,3,8-9,11-12H2,(H,19,21)