4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; phenethylbenzene

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxidanylidene-butanoate; phenethylbenzene Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxo-butanoate; phenethylbenzene CAS Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-oxobutanoate; phenethylbenzene IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyloxy)-4-oxobutanoate; phenethylbenzene Traditional Name: 4-(1H-benzimidazol-2-ylthio)oxy-4-keto-butyrate; phenethylbenzene Formula: C25H23N2O4S- MolecularWeight: 447.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2.C1=CC=C2C(=C1)NC(=N2)SOC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H14.C11H10N2O4S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;14-9(15)5-6-10(16)17-18-11-12-7-3-1-2-4-8(7)13-11/h1-10H,11-12H2;1-4H,5-6H2,(H,12,13)(H,14,15)/p-1