[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O4S/c1-2-27-18-11-6-5-10-17(18)22-19(25)14-28-20(26)12-7-13-29-21-23-15-8-3-4-9-16(15)24-21/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,25)(H,23,24)