diethyl 2-[[[4-(3-sulfanylbutyl)phenyl]amino]methylidene]propanedioate; ethoxybenzene

Systemtic Name: diethyl 2-[[[4-(3-sulfanylbutyl)phenyl]amino]methylidene]propanedioate; ethoxybenzene Openeye Name: diethyl 2-[[4-(3-sulfanylbutyl)anilino]methylene]propanedioate; ethoxybenzene CAS Name: ethoxybenzene; 2-[[4-(3-mercaptobutyl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(3-sulfanylbutyl)anilino]methylidene]propanedioate; ethoxybenzene Traditional Name: 2-[[4-(3-mercaptobutyl)anilino]methylene]malonic acid diethyl ester; phenetole Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1.CCOC(=O)C(=CNC1=CC=C(C=C1)CCC(C)S)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1.CCOC(=O)C(=CNC1=CC=C(C=C1)CCC(C)S)C(=O)OCC

InChI

InChI=1S/C18H25NO4S.C8H10O/c1-4-22-17(20)16(18(21)23-5-2)12-19-15-10-8-14(9-11-15)7-6-13(3)24;1-2-9-8-6-4-3-5-7-8/h8-13,19,24H,4-7H2,1-3H3;3-7H,2H2,1H3