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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2O4S2/c22-16(21-19(24)15-8-5-11-26-15)12-25-18(23)10-4-3-9-17-20-13-6-1-2-7-14(13)27-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,22,24)