[2-(methylamino)-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-3-8-18-12-7-5-4-6-11(12)17-15(18)22-10-14(20)21-9-13(19)16-2/h4-7H,3,8-10H2,1-2H3,(H,16,19)