3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate

Systemtic Name: 3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate Openeye Name: 3-[2-[ethyl(methyl)ammonio]phenyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 3-[[2-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylbutanoate IUPAC Name: 3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 3-[[2-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C)C1=CC=CC=C1SC(C)C(C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC[NH+](C)C1=CC=CC=C1SC(C)C(C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C25H29NO3S/c1-6-26(4)22-9-7-8-10-23(22)30-17(2)25(3,24(27)28)20-13-11-19-16-21(29-5)14-12-18(19)15-20/h7-17H,6H2,1-5H3,(H,27,28)