(2-benzamido-2-oxidanylidene-ethyl) 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-2-12-24-17-11-7-6-10-16(17)22-21(24)29-14-19(26)28-13-18(25)23-20(27)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,25,27)