[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23N3O4S/c1-3-12-23-17-6-4-5-7-18(17)24(21(23)27)13-20(26)28-14-19(25)22-15-8-10-16(29-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,22,25)